C15H21N5O6 Guanosin, 2'-o-methyl-n- (2-methyl-1-oxopropyl)-(9ci, aci)
| Wichtige physikalische Eigenschaften | Wert | Zustand |
| Molekulargewicht | 367.36 | - |
| Dichte (vorhergesagt) | 1,68 ± 0,1 g/cm3 | Temperatur: 20 ° C; Drücken Sie: 760 Torr |
| PKA (vorhergesagt) | 9,16 ± 0,20 | Säurigste Temperatur: 25 ° C |
Kanonisches Lächeln o = c1n = c (nc (= o) c (c) c) nc2 = c1n = cn2c3oc (co) c (o) c3oc
ISOMERIC SMILES O (C) [C@H] 1 [C@H] (N2C3 = C (N = C2) C (= O) n = C (nc (c) c) = o) n3) o [c@h] (co) [c@h] 1o
Inchi
Inchi = 1s/C15H21N5O6/C1-6 (2) 12 (23) 18-15-17-11-8 (13 (24) 19-15) 16-5-20 (11) 14-10 (25-3) 9 (22) 7 (4-21) 26-14/H5-7,9-10,14,21-21- 22H, 4H2,1-3H3 (H2,17,18,19,23,24)/T7-, 9-, 10-, 14-/M1/S1
Inchi -Schlüssel
Rpulcyxeyodqog-akaijsegsa-n
2 andere Namen für diese Substanz
2'-O-Methyl-N-(2-Methyl-1-oxopropyl) Guanosin (ACI);N2-isobutyryl-2'-O-Methylguanosin
Spektren verfügbar
1H NMR
13c nmr
Masse
| Eigenschaften verfügbar |
| Biologisch |
| Chemikalie |
| Dichte |
| Lipinski |
| Struktur verwandt |
Biologisch
| Eigentum | Wert | Zustand | Quelle |
| Biokonzentrationsfaktor | 1.0 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1.0 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1.0 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1.0 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1.0 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1.0 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1.0 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1.0 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1.0 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1.0 | 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 | 2.12 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Koc | 8.67 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Koc | 12.6 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Koc | 13.3 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Koc | 13.3 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Koc | 13.3 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Koc | 13.2 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Koc | 12.5 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Koc | 7.85 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Koc | 1.76 | pH 10; Temperatur: 25 ° C. | (1) ACD |
| logd | -1.26 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| logd | -0.65 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| logd | -0.49 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| logd | -0.47 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| logd | -0.46 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| logd | -0.46 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| logd | -0.47 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| logd | -0.49 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| logd | -0.69 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| logd | -1.34 | pH 10; Temperatur: 25 ° C. | (1) ACD |
| logp | -0,464 ± 0,636 | Temperatur: 25 ° C. | (1) ACD |
| Intrinsische Massenlöslichkeit | 0,55 g/l | Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,5 g/l | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 0,84 g/l | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 0,59 g/l | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 0,55 g/l | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 0,55 g/l | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 0,55 g/l | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 0,55 g/l | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 0,59 g/l | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 0,96 g/l | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 4,4 g/l | pH 10; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 0,55 g/l | Abgezogenes Wasser pH 6,00; Temperatur: 25 ° C. | (1) ACD |
| Intrinsische Molflöslichkeit | 1,5 x 10-3 mol/l | Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 9,6 x 10-3 mol/l | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 2,3 x 10-3 mol/l | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,6 x 10-3 mol/l | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,5 x 10-3 mol/l | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,5 x 10-3 mol/l | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Molare Löslichkeit | 1,5 x 10-3 mol/l | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,5 x 10-3 mol/l | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,6 x 10-3 mol/l | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 2,6 x 10-3 mol/l | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 0,012 mol/l | pH 10; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,5 x 10-3 mol/l | Abgezogenes Wasser pH 6,00; Temperatur: 25 ° C. | (1) ACD |
| Molekulargewicht | 367.36 | ||
| PKA | 9,16 ± 0,20 | Säurigste Temperatur: 25 ° C | (1) ACD |
| PKA | 1,73 ± 0,10 | 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 | 1,68 ± 0,1 g/cm3 | Temperatur: 20 ° C; Drücken Sie: 760 Torr | (1) ACD |
| Molvolumen | 217,6 ± 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 | 6 | (1) ACD | |
| H Akzeptoren | 11 | (1) ACD | |
| H Spender | 4 | (1) ACD | |
| H Spender/Akzeptorsum | 15 | (1) ACD | |
| logp | -0,464 ± 0,636 | Temperatur: 25 ° C. | (1) ACD |
| Molekulargewicht | 367.36 |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Struktur verwandt
| Eigentum | Wert | Zustand | Quelle |
| Polare Oberfläche | 147 A2 | (1) ACD | |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Spektren verfügbar
1H NMR
Spektren verfügbar
13c nmr
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