C15H21N5O6 Guanosine, 2′-O-metil-N-(2-methyl-1-oxopropyl)- (9CI, ACI)
| Proprjetajiet Fiżiċi Ewlenin | Valur | Kundizzjoni |
| Piż Molekulari | 367.36 | - |
| Densità (Imbassar) | 1.68±0.1 g/cm3 | Temp: 20 °C;Press: 760 Torr |
| pKa (Imbassar) | 9.16±0.20 | L-aktar Temp Aċidiku: 25 °C |
Canonical SMILES O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OC
Tbissim iżomeriku O(C)[C@H]1[C@H](N2C3=C(N=C2)C(=O)N=C(NC(C(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- 22H,4H2,1-3H3,(H2,17,18,19,23,24)/t7- ,9-,10-,14-/m1/s1
InChI Key
RPULCYXEYODQOG-AKAIJSEGSA-N
2 Ismijiet Oħra għal din is-Sustanza
2′-O-Metil-N-(2-methyl-1-oxopropyl)guanosine (ACI);N2-Isobutyryl-2′-O-methylguanosine
Spettri disponibbli
1H NMR
13C NMR
Quddiesa
| Proprjetajiet disponibbli |
| Bijoloġiċi |
| Kimika |
| Densità |
| Lipinski |
| Struttura Relatati |
Bijoloġiċi
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-Bijokonċentrazzjoni | 1.0 | pH 1;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.0 | pH 2;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.0 | pH 3;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.0 | pH 4;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.0 | pH 5;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.0 | pH 6;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.0 | pH 7;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.0 | pH 8;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.0 | pH 9;Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.0 | pH 10;Temp: 25 °C | (1) ACD |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp Avvanzat tal-Kimika (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimika
| Proprjetà | Valur | Kundizzjoni | Sors |
| Koc | 2.12 | pH 1;Temp: 25 °C | (1) ACD |
| Koc | 8.67 | pH 2;Temp: 25 °C | (1) ACD |
| Koc | 12.6 | pH 3;Temp: 25 °C | (1) ACD |
| Koc | 13.3 | pH 4;Temp: 25 °C | (1) ACD |
| Koc | 13.3 | pH 5;Temp: 25 °C | (1) ACD |
| Koc | 13.3 | pH 6;Temp: 25 °C | (1) ACD |
| Koc | 13.2 | pH 7;Temp: 25 °C | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Koc | 12.5 | pH 8;Temp: 25 °C | (1) ACD |
| Koc | 7.85 | pH 9;Temp: 25 °C | (1) ACD |
| Koc | 1.76 | pH 10;Temp: 25 °C | (1) ACD |
| logD | -1.26 | pH 1;Temp: 25 °C | (1) ACD |
| logD | -0.65 | pH 2;Temp: 25 °C | (1) ACD |
| logD | -0.49 | pH 3;Temp: 25 °C | (1) ACD |
| logD | -0.47 | pH 4;Temp: 25 °C | (1) ACD |
| logD | -0.46 | pH 5;Temp: 25 °C | (1) ACD |
| logD | -0.46 | pH 6;Temp: 25 °C | (1) ACD |
| logD | -0.47 | pH 7;Temp: 25 °C | (1) ACD |
| logD | -0.49 | pH 8;Temp: 25 °C | (1) ACD |
| logD | -0.69 | pH 9;Temp: 25 °C | (1) ACD |
| logD | -1.34 | pH 10;Temp: 25 °C | (1) ACD |
| logP | -0.464±0.636 | Temp: 25 °C | (1) ACD |
| Solubilità Intrinsika tal-Massa | 0.55 g/L | Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 3.5 g/L | pH 1;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.84 g/L | pH 2;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.59 g/L | pH 3;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.55 g/L | pH 4;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.55 g/L | pH 5;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.55 g/L | pH 6;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.55 g/L | pH 7;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.59 g/L | pH 8;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.96 g/L | pH 9;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 4.4 g/L | pH 10;Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 0.55 g/L | Ilma mhux buffered pH 6.00;Temp: 25 °C | (1) ACD |
| Solubilità Intrinsika Molari | 1.5 x 10-3 mol/L | Temp: 25 °C | (1) ACD |
| Solubilità Molari | 9.6 x 10-3 mol/L | pH 1;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 2.3 x 10-3 mol/L | pH 2;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.6 x 10-3 mol/L | pH 3;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.5 x 10-3 mol/L | pH 4;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.5 x 10-3 mol/L | pH 5;Temp: 25 °C | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Solubilità Molari | 1.5 x 10-3 mol/L | pH 6;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.5 x 10-3 mol/L | pH 7;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.6 x 10-3 mol/L | pH 8;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 2.6 x 10-3 mol/L | pH 9;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 0.012 mol/L | pH 10;Temp: 25 °C | (1) ACD |
| Solubilità Molari | 1.5 x 10-3 mol/L | Ilma mhux buffered pH 6.00;Temp: 25 °C | (1) ACD |
| Piż Molekulari | 367.36 | ||
| pKa | 9.16±0.20 | L-aktar Temp Aċidiku: 25 °C | (1) ACD |
| pKa | 1.73±0.10 | L-aktar Temperatura Bażika: 25 °C | (1) ACD |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp Avvanzat tal-Kimika (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Densità
| Proprjetà | Valur | Kundizzjoni | Sors |
| Densità | 1.68±0.1 g/cm3 | Temp: 20 °C;Press: 760 Torr | (1) ACD |
| Volum Molari | 217.6±7.0 cm3/mol | Temp: 20 °C;Press: 760 Torr | (1) ACD |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp Avvanzat tal-Kimika (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Proprjetà | Valur | Kundizzjoni | Sors |
| Bonds li Jduru Liberament | 6 | (1) ACD | |
| H Aċċettaturi | 11 | (1) ACD | |
| H Donaturi | 4 | (1) ACD | |
| H Somma tad-Donatur/Aċċettatur | 15 | (1) ACD | |
| logP | -0.464±0.636 | Temp: 25 °C | (1) ACD |
| Piż Molekulari | 367.36 |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp Avvanzat tal-Kimika (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struttura Relatati
| Proprjetà | Valur | Kundizzjoni | Sors |
| Żona tal-wiċċ Polari | 147 A2 | (1) ACD | |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp Avvanzat tal-Kimika (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spettri disponibbli
1H NMR
Spettri disponibbli
13C NMR
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