![C42H52N5O9P Cytidine, N-acetyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O- methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] ( 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) phosphoramidite] ( ACI) Ifihan Aworan](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) phosphoramidite] ( ACI)
Nọmba iforukọsilẹ CAS
199593-09-4
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 801.87 | - |
| pKa (Asọtẹlẹ) | 10.18 ± 0.20 | Pupọ Epo otutu: 25 °C |
Ẹ̀RẸ̀ KẸ̀LẸ̀
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)[C@@ 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
InChi Key
WNWUMIPFLOKTEZ-UAQIPLLRSA-N
1 Oruko miiran fun nkan yii
Cytidine,N-Acetyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl-, 3′- [2-cyanoethyl bis (1-methylethyl) phosphoramite] (9CI)
Awọn ohun-ini ti o wa
Ti ibi
Kemikali
Lipinski
Ilana Jẹmọ
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 4.77 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 50.1 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2190 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 21700 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 35700 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 37800 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 37900 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 37300 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 31400 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 12300 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini Iye Ipò Orisun |
| Koc 8.29 pH 1; Iwọn otutu: 25 °C (1) ACD |
| Koc 87,1 pH 2; Iwọn otutu: 25 °C (1) ACD |
| Koc 3800 pH 3; Iwọn otutu: 25 °C (1) ACD |
| Koc 37700 pH 4; Iwọn otutu: 25 °C (1) ACD |
| Koc 62000 pH 5; Iwọn otutu: 25 °C (1) ACD |
| Koc 65700 pH 6; Iwọn otutu: 25 °C (1) ACD |
| Koc 65900 pH 7; Iwọn otutu: 25 °C (1) ACD |
| Koc 64700 pH 8; Iwọn otutu: 25 °C (1) ACD |
| Koc 54500 pH 9; Iwọn otutu: 25 °C (1) ACD |
| Koc 21400 pH 10; Iwọn otutu: 25 °C (1) ACD |
| logD 2.43 pH 1; Iwọn otutu: 25 °C (1) ACD |
| logD 3.45 pH 2; Iwọn otutu: 25 °C (1) ACD |
| logD 5.09 pH 3; Iwọn otutu: 25 °C (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| logD | 6.09 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.30 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.33 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.33 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.32 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.25 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.84 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logP | 6.329 ± 0.771 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 1,8 x 10-4 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1.4 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.14 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.1 x 10-3 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.2 x 10-4 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,9 x 10-4 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,8 x 10-4 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,8 x 10-4 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,8 x 10-4 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2.2 x 10-4 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.6 x 10-4 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,8 x 10-4 g/L | Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 2.3 x 10-7 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,8 x 10-3 mol/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,7 x 10-4 mol / L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.9 x 10-6 mol/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 4.0 x 10-7 mol / L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.4 x 10-7 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.3 x 10-7 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.3 x 10-7 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.3 x 10-7 mol/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.8 x 10-7 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.0 x 10-7 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.3 x 10-7 mol/L | Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Òṣuwọn Molikula | 801.87 | ||
| pKa | 10.18 ± 0.20 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | 3.57± 0.20 | Pupọ Ipilẹ otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Ipo | Orisun |
| Larọwọto Rotatable Bonds | 18 | (1) ACD | |
| H Awọn olugba | 14 | (1) ACD | |
| H Awọn oluranlọwọ | 1 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 15 | (1) ACD | |
| logP | 6.329 ± 0.771 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 801.87 |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Orisun ipo |
| Pola dada Area | 167 A2 | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra wa
1H NMR
13C NMR
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