![C41H49FN5O8P Citidino, N-acetil-5′ -O- [bis(4-metoxifenil)fenilmetil] -2′ - deoksi-2′ -fluoro-, 3′ - [2-cianoetil N,N-bis(1-metiletil) fosforamidito] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C41H49FN5O8P Citidino, N-acetil-5′ -O- [bis(4-metoxifenil)fenilmetil] -2′ - deoksi-2′ -fluoro-, 3′ - [2-cianoetil N,N-bis(1-metiletil) fosforamidito] (ACI)
CAS-Registra Numero
159414-99-0
| Ŝlosilaj Fizikaj Propraĵoj | Valoro | Kondiĉo |
| Molekula pezo | 789,83 | - |
| pKa (Antaŭvidita) | 10,11±0,20 | Plej Acida Temp: 25 °C |
Kanonaj RIDETOJ
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
Isomeraj RIDETOJ
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 Ŝlosilo
CNFKJHKDSRXNFL-UTXREMQHSA-N
1 Alia Nomo por ĉi tiu Substanco
Citidino,N-acetilo-5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ -deoksi-2′ -fluoro-, 3′ - [2-cianoetil bis(1-metiletil)fosfor amidito] (9CI)
Spektro haveblaj
Meso
Disponeblaj posedaĵoj
Biologia
Kemiaĵo
Lipinski
Strukturo Rilata
| Proprieto | Valoro | Kondiĉo | Fonto |
| Biokoncentra Faktoro | 8.60 | pH 1; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 90.3 | pH 2; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 3940 | pH 3; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 39100 | pH 4; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 64300 | pH 5; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 68100 | pH 6; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 68300 | pH 7; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 66800 | pH 8; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 54300 | pH 9; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 19200 | pH 10; Temperaturo: 25 °C | (1) ACD |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
| Proprieto | Valoro | Kondiĉo | Fonto |
| Koc | 12.6 | pH 1; Temperaturo: 25 °C | (1) ACD |
| Koc | 133 | pH 2; Temperaturo: 25 °C | (1) ACD |
| Koc | 5790 | pH 3; Temperaturo: 25 °C | (1) ACD |
| Koc | 57400 | pH 4; Temperaturo: 25 °C | (1) ACD |
| Koc | 94500 | pH 5; Temperaturo: 25 °C | (1) ACD |
| Koc | 1,00 x 105 | pH 6; Temperaturo: 25 °C | (1) ACD |
| Koc | 1,00 x 105 | pH 7; Temperaturo: 25 °C | (1) ACD |
| Koc | 98200 | pH 8; Temperaturo: 25 °C | (1) ACD |
| Koc | 79700 | pH 9; Temperaturo: 25 °C | (1) ACD |
| Koc | 28200 | pH 10; Temperaturo: 25 °C | (1) ACD |
| Proprieto | Valoro | Kondiĉo | Fonto |
| logD | 2.76 | pH 1; Temperaturo: 25 °C | (1) ACD |
| logD | 3.79 | pH 2; Temperaturo: 25 °C | (1) ACD |
| logD | 5.43 | pH 3; Temperaturo: 25 °C | (1) ACD |
| logD | 6.42 | pH 4; Temperaturo: 25 °C | (1) ACD |
| logD | 6.64 | pH 5; Temperaturo: 25 °C | (1) ACD |
| logD | 6.66 | pH 6; Temperaturo: 25 °C | (1) ACD |
| logD | 6.66 | pH 7; Temperaturo: 25 °C | (1) ACD |
| logD | 6.65 | pH 8; Temperaturo: 25 °C | (1) ACD |
| logD | 6.56 | pH 9; Temperaturo: 25 °C | (1) ACD |
| logD | 6.11 | pH 10; Temperaturo: 25 °C | (1) ACD |
| logP | 6,666±0,764 | Temperaturo: 25 °C | (1) ACD |
| Masa Intrinseka Solvebleco | 4,5 x 10-5 g/L | Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 0,36 g/L | pH 1; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 0,035 g/L | pH 2; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 7,90 x 10-4 g/L | pH 3; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 7,9 x 10-5 g/L | pH 4; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 4,8 x 10-5 g/L | pH 5; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 4,6 x 10-5 g/L | pH 6; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 4,6 x 10-5 g/L | pH 7; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 4,7 x 10-5 g/L | pH 8; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 5,7 x 10-5 g/L | pH 9; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,6 x 10-4 g/L | pH 10; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 4,6 x 10-5 g/L | Nebufrita Akvo pH 7.00; Temperaturo: 25 °C | (1) ACD |
| Molara Intrinseka Solvebleco | 5,7 x 10-8 mol/L | Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 4,6 x 10-4 mol/L | pH 1; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 4,4 x 10-5 mol/L | pH 2; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,00 x 10-6 mol/L | pH 3; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,0 x 10-7 mol/L | pH 4; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 6,1 x 10-8 mol/L | pH 5; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 5,8 x 10-8 mol/L | pH 6; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 5,8 x 10-8 mol/L | pH 7; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 5,9 x 10-8 mol/L | pH 8; Temperaturo: 25 °C | (1) ACD |
| Proprieto | Valoro | Kondiĉo | Fonto |
| Molara Solvebleco | 7,2 x 10-8 mol/L | pH 9; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 2,0 x 10-7 mol/L | pH 10; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 5,8 x 10-8 mol/L | Nebufrita Akvo pH 7.00; Temperaturo: 25 °C | (1) ACD |
| Molekula pezo | 789,83 | ||
| pKa | 10,11±0,20 | Plej Acida Temp: 25 °C | (1) ACD |
| pKa | 3,57±0,20 | Plej Baza Temperaturo: 25 °C | (1) ACD |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
| Proprieto | Valoro | Kondiĉo Fonto |
| Polusa Surfacareo | 158 A2 | (1) ACD |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
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