![C30H29FN2O7 Uridin, 5'-O- [Bis (4-Methoxyphenyl) phenylmethyl] -2'-deoxy-2'-fluor- (9ci, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C30H29FN2O7 Uridin, 5'-O- [Bis (4-Methoxyphenyl) phenylmethyl] -2'-deoxy-2'-fluor- (9ci, aci)
| Wichtige physikalische Eigenschaften | Wert | Zustand |
| Molekulargewicht | 548.56 | - |
| Schmelzpunkt (experimentell) | 118-120 ° C. | - |
| Dichte (vorhergesagt) | 1,38 ± 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) C2F
Isomerisches Lächeln c (oc [c@h] 1o [c@h] ([c@h] (f) [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 = cc5
Inchi
Inchi = 1S/C30H29FN2O7/C1-37-22-12-8-20 (9-13-22) 30 (19-6-4-3-5-7-19,21-10-14-23 (38-2) 15-11-21) 39-18-27 (35) 26 (31) 28 (40-24) 33
-17-16-25 (34) 32-29 (33) 36/H3-17,24,26-28,35H, 18H2,1-2H3, (H, 32,34,36)/T24-, 26-, 27-, 28-/M1/S1
Inchi -Schlüssel
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 anderer Name für diese Substanz
5'-o- [Bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'-fluorouridin (ACI)
Eigenschaften verfügbar
Thermal
Thermal
| Eigentum | Wert | Zustand | Quelle |
| Schmelzpunkt | 118-120 ° C. | (1) Cas | |
(1) Penjarla, Srishylam; Nucleoside, Nucleotide & Nukleinsäuren, (2018), 37 (4), 232-247, Caplus
Spektren verfügbar
1H NMR
13c nmr
| Eigenschaften verfügbar |
| Biologisch |
| Chemikalie |
| Dichte |
| Lipinski |
| Struktur verwandt |
Biologisch
| Eigentum | Wert | Zustand | Quelle |
| Biokonzentrationsfaktor | 3580 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 3580 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 3580 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 3580 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 3580 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 3580 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 3570 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 3430 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 2500 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 689 | 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 | 12200 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Koc | 12200 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Koc | 12200 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Koc | 12200 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Koc | 12200 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Koc | 12200 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Koc | 12100 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Koc | 11700 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Koc | 8480 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Koc | 2340 | pH 10; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.98 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.98 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.98 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.98 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.98 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.98 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.98 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.96 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.82 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.26 | pH 10; Temperatur: 25 ° C. | (1) ACD |
| logp | 4,979 ± 0,563 | Temperatur: 25 ° C. | (1) ACD |
| Intrinsische Massenlöslichkeit | 9,9 x 10-5 g/l | Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 9,9 x 10-5 g/l | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 9,9 x 10-5 g/l | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 9,9 x 10-5 g/l | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 9,9 x 10-5 g/l | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 9,9 x 10-5 g/l | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 9,9 x 10-5 g/l | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 9,9 x 10-5 g/l | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 9,9 x 10-5 g/l | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,4 x 10-4 g/l | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 5,0 x 10-4 g/l | pH 10; Temperatur: 25 ° C. | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Massenlöslichkeit | 9,9 x 10-5 g/l | Abgelaufenes Wasser pH 7,00; Temperatur: 25 ° C. | (1) ACD |
| Intrinsische Molflöslichkeit | 1,8 x 10-7 mol/l | Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,8 x 10-7 mol/l | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,8 x 10-7 mol/l | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,8 x 10-7 mol/l | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,8 x 10-7 mol/l | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,8 x 10-7 mol/l | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,8 x 10-7 mol/l | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,8 x 10-7 mol/l | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,8 x 10-7 mol/l | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 2,5 x 10-7 mol/l | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 9,2 x 10-7 mol/l | pH 10; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,8 x 10-7 mol/l | Abgelaufenes Wasser pH 7,00; Temperatur: 25 ° C. | (1) ACD |
| Molekulargewicht | 548.56 | ||
| 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 | 1,38 ± 0,1 g/cm3 | Temperatur: 20 ° C; Drücken Sie: 760 Torr | (1) ACD |
| Molvolumen | 395,8 ± 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 | 10 | (1) ACD | |
| H Akzeptoren | 9 | (1) ACD | |
| H Spender | 2 | (1) ACD | |
| H Spender/Akzeptorsum | 11 | (1) ACD | |
| logp | 4,979 ± 0,563 | Temperatur: 25 ° C. | (1) ACD |
| Molekulargewicht | 548.56 |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Struktur verwandt
| Eigentum | Wert | Zustand | Quelle |
| Polare Oberfläche | 107 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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