![C41H43N3O9 Cytidine, N-benzoyl-5'-O-[bis (4-methoxyphenyl) phenylmethyl]-2′-O- (2-methoxyethyl) -5-methyl- (9CI, ACI) H335, H319, H315](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis (4-methoxyphenyl) phenylmethyl]-2′-O- (2-methoxyethyl) -5-methyl- (9CI, ACI) H335, H319, H315 egosipụtara Onyonyo](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41H43N3O9 Cytidine, N-benzoyl-5'-O-[bis (4-methoxyphenyl) phenylmethyl]-2′-O- (2-methoxyethyl) -5-methyl- (9CI, ACI) H335, H319, H315
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 721.80 | - |
| Ebe mgbaze (nnwale) | 107-110 Celsius C | - |
| Njupụta (buru amụma) | 1.26±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr |
| pKa (buru amụma) | 8.60± 0.40 | Okpomọkụ kachasị acidic: 25 Celsius |
Canonical SMILES O=C1N=C(NC(=O)C=2C=CC=CC2)C(=CN1C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3OCCOC)C
Isomeric SMILES
C (OC [C@H] 1O[C@H]
InChi
InChi=1S/C41H43N3O9/c1-27-25-44(40(47)43-37(27)42-38(46)28-11 -7-5-8-12-28)39-36(51-24-23-48-2)35(45)34(53-39)26-52-41(29-13)
-9-6-10-14-29,30-15-19-32(49-3)20-16-30)31-17-21-33(50-4)22-18- 31/h5-22,25,34-36,39,45H,23-24,26H2,1-4H3,(H,42,43,46,47)/t34-,3 5-,36-,39-/m1/s1
Igodo InChi
BYSCLUAIKFEFAH-LZURGKRNSA-N
23 Aha ndị ọzọ maka ihe a
N-Benzoyl-5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O- (2-methoxyethyl) -5-methylcytidine (ACI); 10: PN: WO03084478 PEEJI: 57 kwuru RNA; 12: PN: US20030170636 PEEJI: 17 kwuru R NA; 13: PN: US20030212017 PEEJI: 19 kwuru R NA; 14: PN: US20030
211606 PEEJI: 19 kwuru R NA; 15: PN: US20040005569 PEEJI: 22 kwuru R NA; 16: PN: US20040006030 PEEJI: 22 kwuru R NA; 16: PN: US20040014048 PEEJI: 20 kwuru R NA; 17: PN: US20030171313 PEEJI: 9 kwuru R NA; 17: PN: US20040005565 PEEJI: 17- 22 kwuru RNA; 17: PN: US20040005570 PEEJI: 20 kwuru R NA; 17: PN: US20040014047 PEEJI: 20 kwuru R NA; 17: PN: US20040 014050 PEEJI: 20 kwuru R NA; 18: PN: US20030198965 PEEJI: 19 kwuru R NA; 18: PN: US20040014699 PEEJI: 20 kwuru R NA; 19: PN: US20040006029 PEEJI: 23 kwuru R NA; 19: PN: WO03106645 PEEJI: 71 kwuru R NA; 59: PN: US20030166592 PEEJI: 15 kwuru RNA; 6: PN: WO2005006958 PEEJI: 62 kwuru R NA; 83: PN: US20040171566 PEEJI: 18 kwuru R NA; 8: PN: WO2005007825
PEEJI: 62 kwuru R NA; 90: PN: US20040005707 PEEJI: 20 kwuru R NA; N4-Benzoyl-2′-O-methoxyethyl-5′-O-dimethoxytrityl-5-
methylcytidine
| Ngwongwo dị |
| Thermal |
Thermal
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ebe mgbaze | 107-110 Celsius C | (1) CAS | |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37 (4), 232-247, CAplus
Spectra dị
1H NMR
13C NMR
| Ngwongwo dị |
| Usoro ndu |
| Chemical |
| Njupụta |
| Lipinski |
| Ọdịdị metụtara |
Usoro ndu
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 291 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 644 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 3690 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 15600 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 23700 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 24800 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 23300 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 14100 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 3010 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 558 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 569 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1260 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 7210 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 30400 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 46300 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 48500 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 45500 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 27500 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 5890 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1090 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.16 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.50 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 5.26 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 5.88 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.07 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.09 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.06 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 5.84 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 5.17 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.44 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | 6.093± 0.720 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 1.3 x 10-4 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.011 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.0 x 10-3 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 8.7 x 10-4 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 2.1 x 10-4 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Uka Solubility | 1.4 x 10-4 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.3 x 10-4 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.4 x 10-4 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 2.3 x 10-4 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.1 x 10-3 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.8 x 10-3 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.4 x 10-4 g/L | Mmiri na-enweghị atụ pH 6.97; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 1.8 x 10-7 mol / l | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.5 x 10-5 mol / l | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.9 x 10-6 mol/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.2 x 10-6 mol / l | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.9 x 10-7 mol/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.8 x 10-7 mol / l | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.9 x 10-7 mol/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 3.2 x 10-7 mol / l | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.5 x 10-6 mol / l | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 8.0 x 10-6 mol/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.9 x 10-7 mol/L | Mmiri na-enweghị atụ pH 6.97; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 721.80 | ||
| pKa | 8.60± 0.40 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
| pKa | 3.87± 0.20 | Okpomọkụ kachasị mma: 25 Celsius | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Njupụta
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Njupụta | 1.26±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
| Olu Molar | 572.5± 7.0 cm3 / mol | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Nkwekọrịta na-agbanwe agbanwe n'efu | 15 | (1) ACD | |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| H Ndị nnabata | 12 | (1) ACD | |
| H Ndị na-enye onyinye | 2 | (1) ACD | |
| H Donor/Anabata Nchikota | 14 | (1) ACD | |
| logP | 6.093± 0.720 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 721.80 |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ọdịdị metụtara
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Mpaghara elu elu | 137 A2 | (1) ACD | |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra dị
1H NMR
13C NMR
| Koodu | Nkwupụta egwu | Isi mmalite |
| H335 | Nwere ike ịkpata mgbakasị iku ume | European Chemical Agency (ECHA) Nhazi&nyonye aha - Nhazi ọkwa na akara aha - ọkwa kachasị, European Chemical Agency (ECHA) Nhazi&nyonye aha - Nhazi ọkwa na akara aha - ọkwa kacha njọ. |
| H319 | Na-ebute oke iwe anya | European Chemical Agency (ECHA) Nhazi&nyonye aha - Nhazi ọkwa na akara aha - ọkwa kachasị, European Chemical Agency (ECHA) Nhazi&nyonye aha - Nhazi ọkwa na akara aha - ọkwa kacha njọ. |
| H315 | Na-ebute mgbakasị anụ ahụ | European Chemical Agency (ECHA) Nhazi&nyonye aha - Nhazi ọkwa na akara aha - ọkwa kachasị, European Chemical Agency (ECHA) Nhazi&nyonye aha - Nhazi ọkwa na akara aha - ọkwa kacha njọ. |
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