![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) Featured Image](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)
Numero sa Rehistro sa CAS
159414-99-0
| Pangunang Pisikal nga mga Kinaiya | Bili | kahimtang |
| Molekular nga Timbang | 789.83 | - |
| pKa (Gitagna) | 10.11±0.20 | Labing Acid nga Temp: 25 °C |
Canonical SMILES
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
Yawe sa InChI
CNFKJHKDSRXNFL-UTXREMQHSA-N
1 Ubang Ngalan alang niini nga Substansya
Cytidine,N-acetyl-5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ -fluoro-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphor amidite] (9CI)
Magamit ang spectra
Misa
Mga kabtangan nga magamit
Biyolohikal
Kemikal
Lipinski
May Kalabutan sa Istruktura
| Property | Bili | kahimtang | Tinubdan |
| Bioconcentration Factor | 8.60 | pH 1; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 90.3 | pH 2; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 3940 | pH 3; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 39100 | pH 4; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 64300 | pH 5; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 68100 | pH 6; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 68300 | pH 7; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 66800 | pH 8; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 54300 | pH 9; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 19200 | pH 10; Temperatura: 25 °C | (1) ACD |
(1) Kalkulado gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Property | Bili | kahimtang | Tinubdan |
| Si Koc | 12.6 | pH 1; Temperatura: 25 °C | (1) ACD |
| Si Koc | 133 | pH 2; Temperatura: 25 °C | (1) ACD |
| Si Koc | 5790 | pH 3; Temperatura: 25 °C | (1) ACD |
| Si Koc | 57400 | pH 4; Temperatura: 25 °C | (1) ACD |
| Si Koc | 94500 | pH 5; Temperatura: 25 °C | (1) ACD |
| Si Koc | 1.00 x 105 | pH 6; Temperatura: 25 °C | (1) ACD |
| Si Koc | 1.00 x 105 | pH 7; Temperatura: 25 °C | (1) ACD |
| Si Koc | 98200 | pH 8; Temperatura: 25 °C | (1) ACD |
| Si Koc | 79700 | pH 9; Temperatura: 25 °C | (1) ACD |
| Si Koc | 28200 | pH 10; Temperatura: 25 °C | (1) ACD |
| Property | Bili | kahimtang | Tinubdan |
| logD | 2.76 | pH 1; Temperatura: 25 °C | (1) ACD |
| logD | 3.79 | pH 2; Temperatura: 25 °C | (1) ACD |
| logD | 5.43 | pH 3; Temperatura: 25 °C | (1) ACD |
| logD | 6.42 | pH 4; Temperatura: 25 °C | (1) ACD |
| logD | 6.64 | pH 5; Temperatura: 25 °C | (1) ACD |
| logD | 6.66 | pH 6; Temperatura: 25 °C | (1) ACD |
| logD | 6.66 | pH 7; Temperatura: 25 °C | (1) ACD |
| logD | 6.65 | pH 8; Temperatura: 25 °C | (1) ACD |
| logD | 6.56 | pH 9; Temperatura: 25 °C | (1) ACD |
| logD | 6.11 | pH 10; Temperatura: 25 °C | (1) ACD |
| logP | 6.666±0.764 | Temperatura: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 4.5 x 10-5 g/L | Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 0.36 g/L | pH 1; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 0.035 g/L | pH 2; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 7.90 x 10-4 g/L | pH 3; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 7.9 x 10-5 g/L | pH 4; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 4.8 x 10-5 g/L | pH 5; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 4.6 x 10-5 g/L | pH 6; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 4.6 x 10-5 g/L | pH 7; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 4.7 x 10-5 g/L | pH 8; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 5.7 x 10-5 g/L | pH 9; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 1.6 x 10-4 g/L | pH 10; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 4.6 x 10-5 g/L | Walay Buffered nga Tubig pH 7.00; Temperatura: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 5.7 x 10-8 mol/L | Temperatura: 25 °C | (1) ACD |
| Molar Solubility | 4.6 x 10-4 mol/L | pH 1; Temperatura: 25 °C | (1) ACD |
| Molar Solubility | 4.4 x 10-5 mol/L | pH 2; Temperatura: 25 °C | (1) ACD |
| Molar Solubility | 1.00 x 10-6 mol/L | pH 3; Temperatura: 25 °C | (1) ACD |
| Molar Solubility | 1.0 x 10-7 mol/L | pH 4; Temperatura: 25 °C | (1) ACD |
| Molar Solubility | 6.1 x 10-8 mol/L | pH 5; Temperatura: 25 °C | (1) ACD |
| Molar Solubility | 5.8 x 10-8 mol/L | pH 6; Temperatura: 25 °C | (1) ACD |
| Molar Solubility | 5.8 x 10-8 mol/L | pH 7; Temperatura: 25 °C | (1) ACD |
| Molar Solubility | 5.9 x 10-8 mol/L | pH 8; Temperatura: 25 °C | (1) ACD |
| Property | Bili | kahimtang | Tinubdan |
| Molar Solubility | 7.2 x 10-8 mol/L | pH 9; Temperatura: 25 °C | (1) ACD |
| Molar Solubility | 2.0 x 10-7 mol/L | pH 10; Temperatura: 25 °C | (1) ACD |
| Molar Solubility | 5.8 x 10-8 mol/L | Walay Buffered nga Tubig pH 7.00; Temperatura: 25 °C | (1) ACD |
| Molekular nga Timbang | 789.83 | ||
| pKa | 10.11±0.20 | Labing Acid nga Temp: 25 °C | (1) ACD |
| pKa | 3.57±0.20 | Labing sukaranan nga Temp: 25 °C | (1) ACD |
(1) Kalkulado gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Property | Bili | Tinubdan sa Kondisyon |
| Polar Surface Area | 158 A2 | (1) ACD |
(1) Kalkulado gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
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