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C33H35N3O8 Citidino, N-acetil-5′-O-[bis(4-metoxifenil)fenilmetil]-2′-O-metil- (9CI, ACI)
| Ŝlosilaj Fizikaj Propraĵoj | Valoro | Kondiĉo |
| Molekula pezo | 601.65 | - |
| Denso (Antaŭvidita) | 1,28±0,1 g/cm3 | Temp: 20 °C;Gazetaro: 760 Torr |
| pKa (Antaŭvidita) | 10,19±0,20 | Plej Acida Temp: 25 °C |
Kanonaj RIDETOJ O=C1N=C(C=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)C(O )C2OC)NC(=O)C
Isomeraj RIDETOJ C(OC[C@H]1O[C@H]([C@H](OC)[C@@H]1O)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/C33H35N3O8/c1-21(37)34-28-18-19-36(32(39)35-28)31-30(42-4)29(38)27(44-31)20- 43-33(22-8-6-5-7-9-22,23-10-14-25(40-2) 15-11-23)24-12-16-26(41-3)17- 13-24/h5-19,27,29-31,38H,20H2,1-4H3,(H,34,35,37,39)/t27-,29-,30-,31-/m1/s1
InChI Ŝlosilo
FNUHOJILDNELQ-PMFUCWTESA-N
1 Alia Nomo por ĉi tiu Substanco
N-Acetil-5′-O-[bis(4-metoxifenil)fenilmetil]-2′-O-metilcitidino (ACI)
| Disponeblaj posedaĵoj |
| Biologia |
| Kemiaĵo |
| Denso |
| Lipinski |
| Strukturo Rilata |
Biologia
| Proprieto | Valoro | Kondiĉo | Fonto |
| Biokoncentra Faktoro | 8.87 | pH 1;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 27.8 | pH 2;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 171 | pH 3;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 515 | pH 4;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 650 | pH 5;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 668 | pH 6;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 668 | pH 7;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 657 | pH 8;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 560 | pH 9;Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 229 | pH 10;Temperaturo: 25 °C | (1) ACD |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
Kemiaĵo
| Proprieto | Valoro | Kondiĉo | Fonto |
| Koc | 48.6 | pH 1;Temperaturo: 25 °C | (1) ACD |
| Koc | 152 | pH 2;Temperaturo: 25 °C | (1) ACD |
| Koc | 935 | pH 3;Temperaturo: 25 °C | (1) ACD |
| Koc | 2820 | pH 4;Temperaturo: 25 °C | (1) ACD |
| Koc | 3560 | pH 5;Temperaturo: 25 °C | (1) ACD |
| Koc | 3660 | pH 6;Temperaturo: 25 °C | (1) ACD |
| Koc | 3660 | pH 7;Temperaturo: 25 °C | (1) ACD |
| Koc | 3600 | pH 8;Temperaturo: 25 °C | (1) ACD |
| Koc | 3070 | pH 9;Temperaturo: 25 °C | (1) ACD |
| Koc | 1250 | pH 10;Temperaturo: 25 °C | (1) ACD |
| logD | 2.14 | pH 1;Temperaturo: 25 °C | (1) ACD |
| logD | 2.64 | pH 2;Temperaturo: 25 °C | (1) ACD |
| Proprieto | Valoro | Kondiĉo | Fonto |
| logD | 3.43 | pH 3;Temperaturo: 25 °C | (1) ACD |
| logD | 3.91 | pH 4;Temperaturo: 25 °C | (1) ACD |
| logD | 4.01 | pH 5;Temperaturo: 25 °C | (1) ACD |
| logD | 4.02 | pH 6;Temperaturo: 25 °C | (1) ACD |
| logD | 4.02 | pH 7;Temperaturo: 25 °C | (1) ACD |
| logD | 4.01 | pH 8;Temperaturo: 25 °C | (1) ACD |
| logD | 3.94 | pH 9;Temperaturo: 25 °C | (1) ACD |
| logD | 3.55 | pH 10;Temperaturo: 25 °C | (1) ACD |
| logP | 4,021±0,768 | Temperaturo: 25 °C | (1) ACD |
| Masa Intrinseka Solvebleco | 1,3 x 10-3 g/L | Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 0,10 g/L | pH 1;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 0,032 g/L | pH 2;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 5,2 x 10-3 g/L | pH 3;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,7 x 10-3 g/L | pH 4;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,4 x 10-3 g/L | pH 5;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,3 x 10-3 g/L | pH 6;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,3 x 10-3 g/L | pH 7;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,3 x 10-3 g/L | pH 8;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,6 x 10-3 g/L | pH 9;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 3,9 x 10-3 g/L | pH 10;Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,3 x 10-3 g/L | Nebufrita Akvo pH 6.99;Temperaturo: 25 °C | (1) ACD |
| Molara Intrinseka Solvebleco | 2,2 x 10-6 mol/L | Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,7 x 10-4 mol/L | pH 1;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 5,3 x 10-5 mol/L | pH 2;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 8,6 x 10-6 mol/L | pH 3;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 2,9 x 10-6 mol/L | pH 4;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 2,3 x 10-6 mol/L | pH 5;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 2,2 x 10-6 mol/L | pH 6;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 2,2 x 10-6 mol/L | pH 7;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 2,2 x 10-6 mol/L | pH 8;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 2,6 x 10-6 mol/L | pH 9;Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 6,4 x 10-6 mol/L | pH 10;Temperaturo: 25 °C | (1) ACD |
| Proprieto | Valoro | Kondiĉo | Fonto |
| Molara Solvebleco | 2,2 x 10-6 mol/L | Nebufrita Akvo pH 6.99;Temperaturo: 25 °C | (1) ACD |
| Molekula pezo | 601.65 | ||
| pKa | 10,19±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)
Denso
| Proprieto | Valoro | Kondiĉo | Fonto |
| Denso | 1,28±0,1 g/cm3 | Temp: 20 °C;Gazetaro: 760 Torr | (1) ACD |
| Molara Volumo | 466,5±7,0 cm3/mol | Temp: 20 °C;Gazetaro: 760 Torr | (1) ACD |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Proprieto | Valoro | Kondiĉo | Fonto |
| Libere Rotacieblaj Obligacioj | 11 | (1) ACD | |
| H Akceptantoj | 11 | (1) ACD | |
| H Donantoj | 2 | (1) ACD | |
| H Sumo de donacanto/akceptanto | 13 | (1) ACD | |
| logP | 4,021±0,768 | Temperaturo: 25 °C | (1) ACD |
| Molekula pezo | 601.65 |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
Strukturo Rilata
| Proprieto | Valoro | Kondiĉo | Fonto |
| Polusa Surfacareo | 128 A2 | (1) ACD | |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
Spektro haveblaj
1H NMR
13C NMR
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