![C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methyl ethyl)phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methyl ethyl)phosphoramidite] (ACI) Featured Image](https://cdn.globalso.com/nvchem/C44H53FN7O8.png)
C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methyl ethyl)phosphoramidite] (ACI)
CAS -Registrierungsnummer
144089-97-4
| Wichtige physikalische Eigenschaften | Wert | Zustand |
| Molekulargewicht | 857.91 | - |
| PKA (vorhergesagt) | 9,16 ± 0,20 | Säurigste Temperatur: 25 ° C |
Kanonisches Lächeln
N#CCCOP (OC1C (F) C (OC1COC (C = 2C = CC = CC2) (C3 = CC = C (OC) C = C3) C4 = CC = C (OC) C = C4) N5C = NC = 6C (= O) N = C (NC (= O) C (C) C (C) C (C) C) C (C) C (C) C) NC (C) C) C (C) C (C) C) NC (C) C) C (C) C (C) C) NC (C) C) C (C) C) NC (C) C) C (C) C) NC (C) C) C (C) C (C) C) NC
Isomeres Lächeln
C (oc [c @@ h] 1 [c @@ h] (op (n (c (c) c) c (c) c) occc#n) [c @@ h] (f) [c @@ h] (O1) n2c3 = c (n = c2) c (= o) n = c (nc (c) c) c (c) c (c) c = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Inchi
Inchi = 1S/C44H53FN7O8P/C1-27 (2) 40 (53) 49-43-48-39-37 (41 (54) 50-43) 47-26-51 (39) 42-36 (45) 38 (60-61 (58-24-24) (58-24-12-23-46) 6)35(59-42)25-57-44(30-13-10-9-11-14-30,31-15-19-33(55-7)20-16-31)32-17-21-34(56-8)22-18-32/h9-11,13-22,26-29,35-36,38,42H,12, 24-25H2,1-8H3 (H2,48,49,50,53,54)/T35-, 36-, 38-, 42-, 61?/M1/S1
Inchi -Schlüssel
Kjfumxzzvymqeu-aocjbpqjsa-n
1 anderer Name für diese Substanz
Guanosin, 5 ' - - -O-[Bis (4-methoxyphenyl) phenylmethyl] -2 '-deoxy-2' -fluor-N-(2-Methyl-1-oxopropyl)-, 3 '-[2-Cyanoethyl-Bis (1-Methylethyl) Phosphoramidit (9CI))
Eigenschaften verfügbar
Biologisch
Chemikalie
Lipinski
Struktur verwandt
| Eigentum | Wert | Zustand | Quelle |
| Biokonzentrationsfaktor | 298 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 6350 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 57800 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1,76 x 105 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 2,21 x 105 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 2,26 x 105 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 2,24 x 105 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 2,03 x 105 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1,04 x 105 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 19300 | pH 10; Temperatur: 25 ° C. | (1) ACD |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
| Quelle der Eigenschaftswertbedingung |
| KOC 312 PH 1; Temperatur: 25 ° C (1) ACD |
| KOC 6630 PH 2; Temperatur: 25 ° C (1) ACD |
| KOC 60400 PH 3; Temperatur: 25 ° C (1) ACD |
| KOC 1,84 x 105 pH 4; Temperatur: 25 ° C (1) ACD |
| KOC 2,31 x 105 pH 5; Temperatur: 25 ° C (1) ACD |
| KOC 2,37 x 105 pH 6; Temperatur: 25 ° C (1) ACD |
| KOC 2,35 x 105 pH 7; Temperatur: 25 ° C (1) ACD |
| KOC 2,12 x 105 pH 8; Temperatur: 25 ° C (1) ACD |
| KOC 1,08 x 105 pH 9; Temperatur: 25 ° C (1) ACD |
| KOC 20200 pH 10; Temperatur: 25 ° C (1) ACD |
| logd 4.47 pH 1; Temperatur: 25 ° C (1) ACD |
| logd 5,80 pH 2; Temperatur: 25 ° C (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| logd | 6.76 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| logd | 7.24 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| logd | 7.34 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| logd | 7.35 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| logd | 7.35 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| logd | 7.30 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| logd | 7.01 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| logd | 6.28 | pH 10; Temperatur: 25 ° C. | (1) ACD |
| logp | 7,351 ± 0,713 | Temperatur: 25 ° C. | (1) ACD |
| Intrinsische Massenlöslichkeit | 3,0 x 10-5 g/l | Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 0,022 g/l | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,0 x 10-3 g/l | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,2 x 10-4 g/l | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,9 x 10-5 g/l | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,1 x 10-5 g/l | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,0 x 10-5 g/l | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,0 x 10-5 g/l | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,3 x 10-5 g/l | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 6,5 x 10-5 g/l | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,5 x 10-4 g/l | pH 10; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,0 x 10-5 g/l | Abgelaufenes Wasser pH 7,00; Temperatur: 25 ° C. | (1) ACD |
| Intrinsische Molflöslichkeit | 3,5 x 10-8 mol/l | Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 2,6 x 10-5 mol/l | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,2 x 10-6 mol/l | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,4 x 10-7 mol/l | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 4,5 x 10-8 mol/l | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 3,6 x 10-8 mol/l | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 3,5 x 10-8 mol/l | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 3,5 x 10-8 mol/l | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 3,9 x 10-8 mol/l | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 7,6 x 10-8 mol/l | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 4,1 x 10-7 mol/l | pH 10; Temperatur: 25 ° C. | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Molare Löslichkeit | 3,5 x 10-8 mol/l | Abgelaufenes Wasser pH 7,00; Temperatur: 25 ° C. | (1) ACD |
| Molekulargewicht | 857.91 | ||
| PKA | 9,16 ± 0,20 | Säurigste Temperatur: 25 ° C | (1) ACD |
| PKA | 3,45 ± 0,70 | Grundlegendste Temperatur: 25 ° C | (1) ACD |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
| Eigentum | Wert | Zustandsquelle |
| Polare Oberfläche | 184 A2 | (1) ACD |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
| Eigentum | Wert | Zustand | Quelle |
| Frei rotierbare Bindungen | 18 | (1) ACD | |
| H Akzeptoren | 15 | (1) ACD | |
| H Spender | 2 | (1) ACD | |
| H Spender/Akzeptorsum | 17 | (1) ACD | |
| logp | 7,351 ± 0,713 | Temperatur: 25 ° C. | (1) ACD |
| Molekulargewicht | 857.91 |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
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