![C50H58N7O9P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′ – O- (2-methoxyethyl) –, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl). phosphoramite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H58N7O9P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′ – O- (2-methoxyethyl) –, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl). ) phosphoramite] (ACI) Foto egosipụtara](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine.png)
C50H58N7O9P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′ – O- (2-methoxyethyl) –, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl). phosphoramite] (ACI)
Nọmba ndekọ CAS
251647-53-7
H302
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 932.01 | - |
| pKa (buru amụma) | 7.87± 0.43 | Okpomọkụ kachasị acidic: 25 Celsius |
Ọchịchị Canonical
N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1OCCOC)COC(C=5C=CC=CC5)(C6=CC=C) (OC)C=C6)C7=CC=C(OC) C=C7)N(C(C)C)C(C)C
Isomeric SMILES
C(OC[C@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ H](O1)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)(C5=CC=C(OC)C=C5)(C6=CC) =C(OC)C=C6)C7=CC=CC=C7
InChi
InChi= 1S/C50H58N7O9P/c1-34(2)57(35(3)4)67(64-28-14-27-51)66-44-42(31-63-50(37-17-12- 9-13-18-37,38-19-23-40(60-6)24-20-38)3 9-21-25-41(61-7)26-22-39)65-49(45) (44)62-30-29-59-5)56-33-54-43-46(52-32-53-47(43)56)55-48(58)36-15-10-8-11 -16-36/h8-13,15-26, 32-35,42,44-45,49H,14,28-31H2,1-7H3,(H,52,53,55,58)/t42-, 44-,45-,49-,67?/m1/s1
InChi Igodo
VBYBQBHLYRLHG-HDMAWCRFSA-N
16 Aha ndị ọzọ maka ihe a
Adenosine,Nbenzoyl-5′O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O(2-methoxyethyl) -, 3′- [2-cyanoethyl bis (1-methylethyl)
phosphoramite] (9CI);16: PN: US20030211606 PEEJI: 19 kwuru usoro;16: PN: US20030212017 PEEJI: 20 kwuru usoro;17: PN: US20040005569 PEEJI: 22 kwuru usoro;19: PN: US20040006030 PEEJI: 23 kwuru usoro;19: PN: US20040014047
PEEJI: 21 kwuru usoro;19: PN: US20040014049 PEEJI: 21 kwuru usoro;20: PN: US20040005570 PEEJI: 20 kwuru
usoro;20: PN: US20040014048 PEEJI: 21 kwuru usoro;20: PN: US20040014050 PEEJI: 20 kwuru usoro;21: PN: U
S20040005565 PEEJI: 17- 22 na-ekwu usoro;21: PN: US20040014051 PEEJI: 23 kwuru usoro;22: PN: US20040014699 PEEJI: 20 kwuru usoro;23: PN: US20040006029 PEEJI: 23 kwuru usoro;23: PN: WO03106645 PEEJI: 73 kwuru usoro;94: P N: US20040005707 PEEJI: 20 kwuru usoro
Spectra dị
1H NMR
13C NMR
Hetero NMR
Ngwongwo dị
Usoro ndu
Chemical
Lipinski
Ọdịdị metụtara
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 2680 | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 71500 | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 7.21 x 105 | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 8,48 x 105 | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.39 x 105 | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 40300 | 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)
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 1360 | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 36300 | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 3,66 x 105 | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.13 x 106 | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 1,42 x 106 | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1,42 x 106 | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.17 x 106 | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 4.30 x 105 | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 70800 | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 20500 | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 5.77 | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 7.20 | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.20 | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.69 | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.79 | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.79 | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.71 | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.27 | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 7.49 | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.95 | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | 8.803± 0.766 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 5.4 x 10-5 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.051 g/L | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.9 x 10-3 g/L | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.9 x 10-4 g/L | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 6.0 x 10-5 g/L | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.8 x 10-5 g/L | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.8 x 10-5 g/L | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.8 x 10-5 g/L | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.6 x 10-4 g/L | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 9.3 x 10-4 g/L | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.6 x 10-3 g/L | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.7 x 10-5 g/L | Mmiri na-enweghị atụ pH 6.97;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 5.8 x 10-8 mol/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 5.5 x 10-5 mol / l | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.0 x 10-6 mol / l | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Solubility Molar | 2.0 x 10-7 mol / l | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.4 x 10-8 mol/L | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 5.1 x 10-8 mol/L | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 5.1 x 10-8 mol/L | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.2 x 10-8 mol/L | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.7 x 10-7 mol / l | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.0 x 10-6 mol / l | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 3.9 x 10-6 mol/L | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.1 x 10-8 mol/L | Mmiri na-enweghị atụ pH 6.97;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 932.01 | ||
| pKa | 7.87± 0.43 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
| pKa | 3.45± 0.70 | Okpomọkụ kachasị mma: 25 Celsius | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Nkwekọrịta na-agbanwe agbanwe n'efu | 22 | (1) ACD | |
| H Ndị nnabata | 16 | (1) ACD | |
| H Ndị na-enye onyinye | 1 | (1) ACD | |
| H Donor/Anabata Nchikota | 17 | (1) ACD | |
| logP | 8.803± 0.766 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 932.01 |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ngwongwo | Uru | Isi mmalite ọnọdụ |
| Mpaghara elu elu | 187 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
| Isi mmalite nkwupụta egwu koodu | |
| H302 na-emerụ ma ọ bụrụ na iloro ya | European Chemical Agency (ECHA) nhazi ọkwa na akara aha Ndepụta Ngwaahịa - Nhazi ọkwa na ntinye aha - ọkwa kachasị, European Chemical Agency (ECHA) Nhazi&Ngwakọta aha - Nhazi ọkwa na ntinye aha - ọkwa kacha njọ |
![L-Ornithinamide, L-valyl-N5- (aminocarbonyl) -N-[4- (hydroxymethyl) phenyl] - (9CI, ACI) H335, H319, H315, H302](https://cdn.globalso.com/nvchem/L-Ornithinamide-300x300.jpg)
![C33H35N3O8 Cytidine, N-acetyl-5′-O-[bis(4-methoxyphenyl) phenylmethyl]-2′-O- methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine-300x300.jpg)
![118 Re36H44N2O8Si Uridine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl]-2'-O-[(1,1-dimethylethyl) dimethylsilyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine-300x300.jpg)
![C34H39N3O8 Cytidine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O- (2-methox ethyl) -5-methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine-300x300.jpg)
![C50H60N5O10P Cytidine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O- (2-methoxyethyl) – 5-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite (ACI)](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine-300x300.png)