![C41H41N5O8 Adenosine, N-benzoyl-5'-O-[bis (4-methoxyphenyl) phenylmethyl]-2′- O- (2-methoxyethyl) - (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis (4-methoxyphenyl) phenylmethyl]-2′- O- (2-methoxyethyl)- (9CI, ACI) Ihe onyonyo egosipụtara](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine.jpg)
C41H41N5O8 Adenosine, N-benzoyl-5'-O-[bis (4-methoxyphenyl) phenylmethyl]-2′- O- (2-methoxyethyl) - (9CI, ACI)
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 731.79 | - |
| Ebe mgbaze (nnwale) | 119-121 Celsius C | - |
| Njupụta (buru amụma) | 1.31±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr |
| pKa (buru amụma) | 7.87± 0.43 | Okpomọkụ kachasị acidic: 25 Celsius |
Canonical SMILES O = C (NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3OCCOC
Isomeric SMILES
C
=C6)C7=CC=CC=C7
InChi
InChi=1S/C41H41N5O8/c1-49-22-23-52-36-35(47)33(54-40(36)46-26 -44-34-37(42-25-43-38(34)46)45-39(48)27-10-6-4-7-11-27)24-53- 41. (H,42,43,45,48)/t33-,35-,36-,40-/m1/s1
Igodo InChi
KEVMXGNDTKPSMC-MUMPVVMASA-N
16 Aha ndị ọzọ maka ihe a
N-Benzoyl-5′-O-[bis (4-methoxyphenyl) phenylmethyl] -2′-O- (2-methoxyethyl) adenosine (ACI); 17: PN: US20030211606 PEEJI: 19 kwuru usoro; 18: PN: US20040005569 PEEJI: 22 kwuru usoro; 20: PN: US20040006030 PEEJI: 23 kwuru usoro; 20: PN: US20040014047 PEEJI: 21 kwuru usoro; 20: PN: US20040014049 PEEJI: 21 kwuru usoro; 21: PN: US20040005570 PAG
E: 20 kwuru usoro; 21: PN: US20040014048 PEEJI: 21 kwuru usoro; 21: PN: US20040014050 PEEJI: 20 kwuru usoro; 22: PN: US20040005565 PEEJI: 17- 22 kwuru usoro; 22: PN: US20040014051 PEEJI: 23 kwuru usoro; 23: PN: US20040 014699 PEEJI: 20 kwuru usoro; 24: PN: US20040006029 PEEJI: 23 kwuru usoro; 24: PN: WO03106645 PEEJI: 73 kwuru usoro; 5′-Dimethoxytrityl-2′-O- (2-Methoxyethyl) -N6-benzoyl adenosine; 95: PN: US20040005707 PEEJI: 20 kwuru usoro
| Ngwongwo dị |
| Thermal |
Thermal
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ebe mgbaze | 119-121 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 | 31700 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.08 x 105 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1,43 x 105 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1,48 x 105 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1,48 x 105 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.45 x 105 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.19 x 105 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 43000 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 7050 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 2060 | 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 | 37400 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.28 x 105 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.69 x 105 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1,74 x 105 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1,74 x 105 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.71 x 105 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.40 x 105 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 50700 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 8320 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 2430 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.44 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.97 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 7.09 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 7.11 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 7.11 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 7.10 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 7.01 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.57 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 5.78 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 5.25 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | 7.109± 0.766 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 5.6 x 10-6 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 2.6 x 10-5 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 7.3 x 10-6 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.8 x 10-6 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.6 x 10-6 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.6 x 10-6 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.7 x 10-6 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 7.0 x 10-6 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Uka Solubility | 1.9 x 10-5 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.2 x 10-4 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.0 x 10-4 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 7.0 x 10-6 g/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 7.6 x 10-9 mol/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 3.6 x 10-8 mol/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.0 x 10-8 mol / l | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.9 x 10-9 mol/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.7 x 10-9 mol/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.7 x 10-9 mol/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.8 x 10-9 mol/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 9.6 x 10-9 mol/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.6 x 10-8 mol/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.6 x 10-7 mol / l | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 5.5 x 10-7 mol / l | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 9.5 x 10-9 mol/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 731.79 | ||
| pKa | 7.87± 0.43 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
| pKa | 1.39± 0.10 | 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 | 1.31±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
| Olu Molar | 556.9±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 | |
| H Ndị nnabata | 13 | (1) ACD | |
| H Ndị na-enye onyinye | 2 | (1) ACD | |
| H Donor/Anabata Nchikota | 15 | (1) ACD | |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| logP | 7.109± 0.766 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 731.79 |
(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 | 148 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
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