![C33H35N3O8 Cytidin, N-Acetyl-5'-O- [Bis (4-Methoxyphenyl) phenylmethyl] -2'-o-methyl- (9CI, ACI) aus Bildung](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine.jpg)
C33H35N3O8 Cytidin, N-Acetyl-5'-O-[Bis (4-Methoxyphenyl) phenylmethyls-2'-O-Methyl- (9CI, ACI)
| Wichtige physikalische Eigenschaften | Wert | Zustand |
| Molekulargewicht | 601.65 | - |
| Dichte (vorhergesagt) | 1,28 ± 0,1 g/cm3 | Temperatur: 20 ° C; Drücken Sie: 760 Torr |
| PKA (vorhergesagt) | 10,19 ± 0,20 | Säurigste Temperatur: 25 ° C |
Kanonisches Lächeln 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
Isomerales Lächeln 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 = C (OC) C (OC) c = C4) CC5 = C5 = C5 = CC = C. 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 (22-8-6-5-7-7-22,22,23-22,23-22 (40-8-6-5-7-7-2222222,23-25 (40-8-6-5-7-22,22,22,22,23-25 (40-8-6-5-7-7-2222222,22,23-22-25 (40-8-6-5-7-7-222222222. 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 -Schlüssel
Finuhojildelq-pmfucwtesa-n
1 anderer Name für diese Substanz
N-Acetyl-5'-O- [Bis (4-methoxyphenyl) phenylmethyl] -2'-o-methylcytidin (ACI)
| Eigenschaften verfügbar |
| Biologisch |
| Chemikalie |
| Dichte |
| Lipinski |
| Struktur verwandt |
Biologisch
| Eigentum | Wert | Zustand | Quelle |
| Biokonzentrationsfaktor | 8.87 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 27.8 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 171 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 515 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 650 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 668 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 668 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 657 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 560 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 229 | pH 10; Temperatur: 25 ° C. | (1) ACD |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Chemikalie
| Eigentum | Wert | Zustand | Quelle |
| Koc | 48,6 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Koc | 152 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Koc | 935 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Koc | 2820 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Koc | 3560 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Koc | 3660 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Koc | 3660 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Koc | 3600 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Koc | 3070 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Koc | 1250 | pH 10; Temperatur: 25 ° C. | (1) ACD |
| logd | 2.14 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| logd | 2.64 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| logd | 3.43 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| logd | 3.91 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.01 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.02 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.02 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.01 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| logd | 3.94 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| logd | 3.55 | pH 10; Temperatur: 25 ° C. | (1) ACD |
| logp | 4,021 ± 0,768 | Temperatur: 25 ° C. | (1) ACD |
| Intrinsische Massenlöslichkeit | 1,3 x 10-3 g/l | Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 0,10 g/l | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 0,032 g/l | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 5,2 x 10-3 g/l | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,7 x 10-3 g/l | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,4 x 10-3 g/l | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,3 x 10-3 g/l | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,3 x 10-3 g/l | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,3 x 10-3 g/l | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,6 x 10-3 g/l | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,9 x 10-3 g/l | pH 10; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,3 x 10-3 g/l | Abgelaufenes Wasser pH 6,99; Temperatur: 25 ° C. | (1) ACD |
| Intrinsische Molflöslichkeit | 2,2 x 10-6 mol/l | Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,7 x 10-4 mol/l | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 5,3 x 10-5 mol/l | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 8,6 x 10-6 mol/l | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 2,9 x 10-6 mol/l | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 2,3 x 10-6 mol/l | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 2,2 x 10-6 mol/l | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 2,2 x 10-6 mol/l | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 2,2 x 10-6 mol/l | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 2,6 x 10-6 mol/l | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 6,4 x 10-6 mol/l | pH 10; Temperatur: 25 ° C. | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Molare Löslichkeit | 2,2 x 10-6 mol/l | Abgelaufenes Wasser pH 6,99; Temperatur: 25 ° C. | (1) ACD |
| Molekulargewicht | 601.65 | ||
| PKA | 10,19 ± 0,20 | Säurigste Temperatur: 25 ° C | (1) ACD |
| PKA | 3,57 ± 0,20 | Grundlegendste Temperatur: 25 ° C | (1) ACD |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Dichte
| Eigentum | Wert | Zustand | Quelle |
| Dichte | 1,28 ± 0,1 g/cm3 | Temperatur: 20 ° C; Drücken Sie: 760 Torr | (1) ACD |
| Molvolumen | 466,5 ± 7,0 cm3/mol | Temperatur: 20 ° C; Drücken Sie: 760 Torr | (1) ACD |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Lipinski
| Eigentum | Wert | Zustand | Quelle |
| Frei rotierbare Bindungen | 11 | (1) ACD | |
| H Akzeptoren | 11 | (1) ACD | |
| H Spender | 2 | (1) ACD | |
| H Spender/Akzeptorsum | 13 | (1) ACD | |
| logp | 4,021 ± 0,768 | Temperatur: 25 ° C. | (1) ACD |
| Molekulargewicht | 601.65 |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Struktur verwandt
| Eigentum | Wert | Zustand | Quelle |
| Polare Oberfläche | 128 A2 | (1) ACD | |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Spektren verfügbar
1H NMR
13c nmr
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