![C45H56N7O9P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C45H56N7O9p Guanosin, 5 '-o- [Bis (4-methoxyphenyl) phenylmethyl] -2' -o-methyl-n- (2-methyl-1-oxopropyl)-, 3 '-[2-cyanoethyl n, n-bis (1-methylethyl) Phosporamidit-Phospor) (ACI) (ACI) (ACI) (ACI) (1-methylethylethy](https://cdn.globalso.com/nvchem/C45H56N7O9P.png)
C45H56N7O9P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)
CAS -Registrierungsnummer
150780-67-9
H303
| Wichtige physikalische Eigenschaften | Wert | Zustand |
| Molekulargewicht | 869.94 | - |
| PKA (vorhergesagt) | 9,16 ± 0,20 | Säurigste Temperatur: 25 ° C |
N#CCCOP (OC1C (OC (N2C = NC = 3C (= O) N = C (NC (= O) C (C) C) C) C1OC) coc (c = 4c = cc = cc4) (c5 = cc = c (OC) C = C (C5) C (C (C (C) c) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C)
Isomeres Lächeln
C (oc [c @@ h] 1 [c @@ h] (op (n (c (c) c) c (c) c) occc#n) [c @@ h] (oc) [c @@ h] (o1) n2c3 = c (n = c2) c (= o) n = c (nc (c (c) c) c (c) n3) (c4 = cc = cc C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Inchi
Inchi = 1S/C45H56N7O9P/C1-28 (2) 41 (53) 49-44-48-40-37 (42 (54) 50-44) 47-27-51 (40) 43-39 (57-9) 38 (61-62 (59-25-13-24-39
46) 52 (29 (3) 4) 30 (5) 6) 36 (60-43) 26-58-45 (31-14-11-10-12-15-31,32-16-20-34 (55-7) 21-17-32) 33-18-22-35 (56-8) 23-19-33/H10-12,14-23,27 -30,36,38-39,43H, 13,25-26H2,1-9H3 (H2,48,49,50,53,54)/T36-, 38-, 39-, 43-, 62?/M1/S1
Inchi -Schlüssel
Irrdhrzuzuoznwdj-mlldkzsosa-n
1 anderer Name für diese Substanz
Guanosin, 5 ' - - -O-[Bis (4-methoxyphenyl) phenylmethyl] -2 '----O-Methyl-N-(2-methyl-1-oxopropyl)-, 3 '-[2-cyanoethyl-Bis (1-methylethyl) phosphoramidit (9ci)
Spektren verfügbar
13 c nmr
Hetero NMR
Eigenschaften verfügbar
Biologisch
Chemikalie
Lipinski
Struktur verwandt
| Eigentum | Wert | Zustand | Quelle |
| Biokonzentrationsfaktor | 183 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 3890 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 35500 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1,08 x 105 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1,36 x 105 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1,39 x 105 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1,38 x 105 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1,24 x 105 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 63600 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 11900 | pH 10; Temperatur: 25 ° C. | (1) ACD |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
| Eigentum | Wert | Zustand | Quelle |
| Koc | 220 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Koc | 4680 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Koc | 42600 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Koc | 1,30 x 105 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Koc | 1,63 x 105 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Koc | 1,67 x 105 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Koc | 1,65 x 105 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Koc | 1,49 x 105 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Koc | 76400 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Koc | 14200 | pH 10; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.19 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| logd | 5.52 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| logd | 6.48 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| logd | 6.96 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| logd | 7.06 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| logd | 7.07 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| logd | 7.07 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| logd | 7.02 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| logd | 6.73 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| logd | 6.00 | pH 10; Temperatur: 25 ° C. | (1) ACD |
| logp | 7,072 ± 0,721 | Temperatur: 25 ° C. | (1) ACD |
| Intrinsische Massenlöslichkeit | 1,2 x 10-4 g/l | Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 0,096 g/l | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 4,3 x 10-3 g/l | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 4,8 x 10-4 g/l | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,6 x 10-4 g/l | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,2 x 10-4 g/l | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,2 x 10-4 g/l | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,2 x 10-4 g/l | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,4 x 10-4 g/l | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 2,7 x 10-4 g/l | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,4 x 10-3 g/l | pH 10; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,2 x 10-4 g/l | Abgelaufenes Wasser pH 7,00; Temperatur: 25 ° C. | (1) ACD |
| Intrinsische Molflöslichkeit | 1,4 x 10-7 mol/l | Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,1 x 10-4 mol/l | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 5,0 x 10-6 mol/l | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 5,5 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 | 1,4 x 10-7 mol/l | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,4 x 10-7 mol/l | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Molare Löslichkeit | 1,4 x 10-7 mol/l | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,6 x 10-7 mol/l | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 3,1 x 10-7 mol/l | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,6 x 10-6 mol/l | pH 10; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,4 x 10-7 mol/l | Abgelaufenes Wasser pH 7,00; Temperatur: 25 ° C. | (1) ACD |
| Molekulargewicht | 869.94 | ||
| 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 | Zustand | Quelle |
| Frei rotierbare Bindungen | 19 | (1) ACD | |
| H Akzeptoren | 16 | (1) ACD | |
| H Spender | 2 | (1) ACD | |
| H Spender/Akzeptorsum | 18 | (1) ACD | |
| logp | 7,072 ± 0,721 | Temperatur: 25 ° C. | (1) ACD |
| Molekulargewicht | 869.94 |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
| Eigentum | Wert | Zustandsquelle |
| Polare Oberfläche | 194 A2 | (1) ACD |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Spektren verfügbar
1 H nmr
13 c nmr
| Code | Hazard -Erklärung | Quelle |
| H303 | Kann schädlich sein, wenn er verschluckt wird | Experten kuratiert |
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