![C31H32N2O8 Uridin, 5'-o- [Bis (4-methoxyphenyl) phenylmethyl] -2'-o-methyl- (9c i, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H32N2O8 Uridin, 5'-o- [Bis (4-methoxyphenyl) phenylmethyl] -2'-o-methyl- (9c I, ACI) ausgestattet](https://cdn.globalso.com/nvchem/C31H32N2O8-Uridine.jpg)
C31H32N2O8 Uridin, 5'-o- [Bis (4-methoxyphenyl) phenylmethyl] -2'-o-methyl- (9c i, aci)
| Wichtige physikalische Eigenschaften | Wert | Zustand |
| Molekulargewicht | 560.60 | - |
| Dichte (vorhergesagt) | 1,35 ± 0,1 g/cm3 | Temperatur: 20 ° C; Drücken Sie: 760 Torr |
| PKA (vorhergesagt) | 9,39 ± 0,10 | Säurigste Temperatur: 25 ° C |
Kanonisches Lächeln O = C1C = CN (C (= O) N1) C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2oc
Isomerisches Lächeln c (oc [c@h] 1o [c@h] ([c@h] (oc) [c @@ h] 1o) n2c (= o) nc (= o) c = c2) (c3 = cc = c (oc) c = c3) (c4 = cc = c (oc) c = c4) c5 = cc = cc = cc = cc = cc = cc = cc = cc = c5
Inchi
InChI=1S/C31H32N2O8/c1-37-23-13-9-21(10-14-23)31(20-7-5-4-6-8-20,22-11-15-24(38-2)16-12-22)40-19-25-27(35)28(39-3)29(41-25)
33-18-17-26 (34) 32-30 (33) 36/H4-18,25,27-29,35H, 19H2,1-3H3, (H, 32,34,36)/T25-, 27-, 28-, 29-/M1/S1
Inchi -Schlüssel
Mfdhavfjdsrpkc-yxinzvnlsa-n
2 andere Namen für diese Substanz
5'-o- [Bis (4-methoxyphenyl) phenylmethyl] -2'-o-methyluridin (ACI); 5'-O- (4,4'-Dimethoxytrität) -2'-o-methyluridin
Spektren verfügbar
1H NMR
Masse
| Eigenschaften verfügbar |
| Biologisch |
| Chemikalie |
| Dichte |
| Lipinski |
| Struktur verwandt |
Biologisch
| Eigentum | Wert | Zustand | Quelle |
| Biokonzentrationsfaktor | 1240 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1240 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1240 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1240 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1240 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1240 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1230 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1190 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 861 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 238 | 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 | 5690 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Koc | 5690 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Koc | 5690 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Koc | 5690 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Koc | 5690 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Koc | 5690 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Koc | 5670 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Koc | 5450 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Koc | 3960 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Koc | 1100 | pH 10; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.37 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.37 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.37 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.37 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.37 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.37 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.37 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.35 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.21 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| logd | 3.66 | pH 10; Temperatur: 25 ° C. | (1) ACD |
| logp | 4,372 ± 0,582 | Temperatur: 25 ° C. | (1) ACD |
| Intrinsische Massenlöslichkeit | 3,7 x 10-4 g/l | Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,7 x 10-4 g/l | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,7 x 10-4 g/l | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,7 x 10-4 g/l | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,7 x 10-4 g/l | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,7 x 10-4 g/l | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,7 x 10-4 g/l | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,7 x 10-4 g/l | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,8 x 10-4 g/l | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 5,3 x 10-4 g/l | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,9 x 10-3 g/l | pH 10; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,7 x 10-4 g/l | Abgelaufenes Wasser pH 6,99; Temperatur: 25 ° C. | (1) ACD |
| Intrinsische Molflöslichkeit | 6,6 x 10-7 mol/l | Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 6,6 x 10-7 mol/l | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 6,6 x 10-7 mol/l | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 6,6 x 10-7 mol/l | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 6,6 x 10-7 mol/l | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 6,6 x 10-7 mol/l | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 6,6 x 10-7 mol/l | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Molare Löslichkeit | 6,6 x 10-7 mol/l | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 6,8 x 10-7 mol/l | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 9,4 x 10-7 mol/l | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 3,4 x 10-6 mol/l | pH 10; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 6,6 x 10-7 mol/l | Abgelaufenes Wasser pH 6,99; Temperatur: 25 ° C. | (1) ACD |
| Molekulargewicht | 560.60 | ||
| PKA | 9,39 ± 0,10 | Säurigste 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 | 1,35 ± 0,1 g/cm3 | Temperatur: 20 ° C; Drücken Sie: 760 Torr | (1) ACD |
| Molvolumen | 412,9 ± 5,0 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 | 10 | (1) ACD | |
| H Spender | 2 | (1) ACD | |
| H Spender/Akzeptorsum | 12 | (1) ACD | |
| logp | 4,372 ± 0,582 | Temperatur: 25 ° C. | (1) ACD |
| Molekulargewicht | 560.60 |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Struktur verwandt
| Eigentum | Wert | Zustand | Quelle |
| Polare Oberfläche | 116 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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