![C42H52N5O9P Cytidine, N-acetyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O- methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite] ( ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C42H52N5O9P Cytidine, N-acetyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O- methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite] ( ACI) Foto egosipụtara](https://www.csnvchem.com/uploads/C42H52N5O9P-Cytidine.png)
C42H52N5O9P Cytidine, N-acetyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O- methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite] ( ACI)
Nọmba ndekọ CAS
199593-09-4
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 801.87 | - |
| pKa (buru amụma) | 10.18± 0.20 | Okpomọkụ kachasị acidic: 25 Celsius |
Ọchịchị Canonical
N#CCCOP(OC1C(OC(N2C=CC(= NC2=O)NC(=O)C)C1OC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5 =CC=C(OC)C=C5)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](OC) H](O1)N2C(=O)N=C(NC(C)=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC) =C(OC)C=C4)C5=CC=CC=C5
InChi
InChi= 1S/C42H52N5O9P/c1-28(2)47(29(3)4)57(54-26-12-24-43)56-38-36(55-40(39(38)52-8)46- 25-23-37 (44-30 (5)48)45-41 (46)49)27-53 -42 (31-13-10-9-11-14-31,32-15-19-34(50-6)20-16-32)33-17-21-35 51-7)22-18-33/h9-11,13-23,25,28-29,36,38-40H,12,26-27H2,1-8H3,( H,44,45,48,49)/t36-,38-,39-,40-,57?/m1/s1
Igodo InChi
WNWUMIPFLOKTEZ-UAQIPLLRSA-N
1 Aha ọzọ maka ihe a
Cytidine,N- acetyl-5′O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O-methyl-, 3′- [2-cyanoethyl bis (1-methylethyl) phosphoramite] (9CI)
Ngwongwo dị
Usoro ndu
Chemical
Lipinski
Ọdịdị metụtara
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 4.77 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 50.1 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2190 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 21700 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 35700 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 37800 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 37900 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 37300 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 31400 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 12300 | 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)
| Isi mmalite Ọnọdụ Uru Ala |
| 8.29 pH 1; Okpomọkụ: 25 Celsius C (1) ACD |
| Koc 87.1 pH 2; Okpomọkụ: 25 Celsius C (1) ACD |
| Koc 3800 pH 3; Okpomọkụ: 25 Celsius C (1) ACD |
| Koc 37700 pH 4; Okpomọkụ: 25 Celsius C (1) ACD |
| Koc 62000 pH 5; Okpomọkụ: 25 Celsius C (1) ACD |
| Koc 65700 pH 6; Okpomọkụ: 25 Celsius C (1) ACD |
| Koc 65900 pH 7; Okpomọkụ: 25 Celsius C (1) ACD |
| Koc 64700 pH 8; Okpomọkụ: 25 Celsius C (1) ACD |
| Koc 54500 pH 9; Okpomọkụ: 25 Celsius C (1) ACD |
| Koc 21400 pH 10; Okpomọkụ: 25 Celsius C (1) ACD |
| logD 2.43 pH 1; Okpomọkụ: 25 Celsius C (1) ACD |
| logD 3.45 pH 2; Okpomọkụ: 25 Celsius C (1) ACD |
| logD 5.09 pH 3; Okpomọkụ: 25 Celsius C (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| logD | 6.09 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.30 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.33 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.33 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.32 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.25 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 5.84 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | 6.329± 0.771 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 1.8 x 10-4 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.4 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.14 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.1 x 10-3 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.2 x 10-4 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.9 x 10-4 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.8 x 10-4 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.8 x 10-4 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.8 x 10-4 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 2.2 x 10-4 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.6 x 10-4 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.8 x 10-4 g/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 2.3 x 10-7 mol / l | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.8 x 10-3 mol / l | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol / l | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 3.9 x 10-6 mol/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 4.0 x 10-7 mol / l | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.4 x 10-7 mol / l | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.3 x 10-7 mol / l | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.3 x 10-7 mol / l | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.3 x 10-7 mol / l | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.8 x 10-7 mol/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.0 x 10-7 mol / l | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.3 x 10-7 mol / l | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ibu molekụla | 801.87 | ||
| pKa | 10.18± 0.20 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
| pKa | 3.57± 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)
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Nkwekọrịta na-agbanwe agbanwe n'efu | 18 | (1) ACD | |
| H Ndị nnabata | 14 | (1) ACD | |
| H Ndị na-enye onyinye | 1 | (1) ACD | |
| H Donor/Anabata Nchikota | 15 | (1) ACD | |
| logP | 6.329± 0.771 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 801.87 |
(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 | 167 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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![C45H56N7O9P Guanosine, 5'-O- [bis(4-methoxyphenyl) phenylmethyl]-2'-O-methyl- N- (2-methyl-1-oxopropyl) -, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite (ACI)](https://www.csnvchem.com/uploads/C45H56N7O9P-300x300.png)
![C39H46FN4O8P Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-deoxy-2′ – fluoro-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI) )](https://www.csnvchem.com/uploads/C39H46FN4O8P-Uridine-300x300.png)