![C41H49FN5O8P Cytidine, N-acetyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-deoxy-2′-fluoro-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphor amidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H49FN5O8P Cytidine, N-acetyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-deoxy-2′-fluoro-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphor amidite] (ACI) Aworan ifihan](https://www.csnvchem.com/uploads/C41H49FN5O8P-Cytidine.png)
C41H49FN5O8P Cytidine, N-acetyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-deoxy-2′-fluoro-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphor amidite] (ACI)
Nọmba iforukọsilẹ CAS
159414-99-0
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 789.83 | - |
| pKa (Asọtẹlẹ) | 10.11 ± 0.20 | Pupọ Epo otutu: 25 °C |
Ẹ̀RẸ̀ KẸ̀LẸ̀
N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(= NC5=O)NC(=O)C)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](F)[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/C41H49FN5O8P/c1-27(2)47(28(3)4)56(53-25-11-23-43)55-38-35(54-39(37(38)42)46- 24-22-36 (44-29 (5)48)45-40 (46)49)26-52- 41(30-12-9-8-10-13-30,31-14-18-33( 50-6)19-15-31)32-16-20-34 (51-7)21-17-32/h8-10,12-22,24,27-28,35,37-39H,11, 25-26H2,1-7H3,(H, 44,45,48,49)/t35-,37-,38-,39-,56?/m1/s1
InChi Key
CNFKJHKDSRXNFL-UTXREMQHSA-N
1 Oruko miiran fun nkan yii
Cytidine,N-Acetyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2 '-deoxy-2' -fluoro-, 3' - [2-cyanoethyl bis (1-methylethyl) phosphor amidite] (9CI)
Spectra wa
Ibi
Awọn ohun-ini ti o wa
Ti ibi
Kemikali
Lipinski
Ilana Jẹmọ
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 8.60 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 90.3 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 3940 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 39100 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 64300 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 68100 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 68300 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 66800 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 54300 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | Ọdun 19200 | 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 | Ipo | Orisun |
| Koc | 12.6 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 133 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 5790 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 57400 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 94500 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1.00 x 105 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1.00 x 105 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 98200 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 79700 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 28200 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| logD | 2.76 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| logD | 3.79 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.43 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.42 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.64 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.66 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.66 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.65 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.56 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.11 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logP | 6.666 ± 0.764 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 4.5 x 10-5 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.36 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.035 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 7.90 x 10-4 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 7.9 x 10-5 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4,8 x 10-5 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4,6 x 10-5 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4,6 x 10-5 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4,7 x 10-5 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.7 x 10-5 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,6 x 10-4 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4,6 x 10-5 g/L | Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 5.7 x 10-8 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 4.6 x 10-4 mol/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 4.4 x 10-5 mol/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,00 x 10-6 mol / L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.0 x 10-7 mol / L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 6.1 x 10-8 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.8 x 10-8 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.8 x 10-8 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.9 x 10-8 mol/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Solubility Molar | 7.2 x 10-8 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.0 x 10-7 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.8 x 10-8 mol/L | Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 789.83 | ||
| pKa | 10.11 ± 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 | Orisun ipo |
| Pola dada Area | 158 A2 | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
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