C15H21N5O6 Guanosine, 2′-O-methyl-N-(2-methyl-1-oxopropyl)- (9CI, ACI)
| Izici Zomzimba Eziyinhloko | Inani | Isimo |
| Isisindo samangqamuzana | 367.36 | - |
| Ukuminyana (Kubikezelwe) | 1.68±0.1 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr |
| pKa (Kubikezelwe) | 9.16±0.20 | Izinga Le-Acidic Elikhulu: 25 °C |
I-Canonical AMAMOTHEKA O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OC
Isomeric IYAMAMAtheka 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
I-InChI
I-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)25/15-14,4 22H,4H2,1-3H3,(H2,17,18,19,23,24)/t7-,9-,10-,14-/m1/s1
Ukhiye we-InchI
RPULCYXEYODQOG-AKAIJSEGSA-N
2 Amanye Amagama Alesi Sitho
2′-O-Methyl-N-(2-methyl-1-oxopropyl) guanosine (ACI);N2-Isobutyryl-2′-O- methylguanosine
I-Spectra iyatholakala
1H NMR
13C NMR
IMisa
| Izakhiwo ezitholakalayo |
| I-Biological |
| Amakhemikhali |
| Ukuminyana |
| I-Lipinski |
| Okuhlobene Nesakhiwo |
I-Biological
| Impahla | Inani | Isimo | Umthombo |
| I-Bioconcentration Factor | 1.0 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.0 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Amakhemikhali
| Impahla | Inani | Isimo | Umthombo |
| Koc | 2.12 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 8.67 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 12.6 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 13.3 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 13.3 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 13.3 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 13.2 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| Koc | 12.5 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 7.85 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 1.76 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -1.26 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -0.65 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -0.49 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -0.47 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -0.46 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -0.46 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -0.47 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -0.49 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -0.69 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| logD | -1.34 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| logP | -0.464±0.636 | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Intrinsic Solubility | 0.55 g/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 3.5 g/L | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.84 g/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.59 g/L | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.55 g/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.55 g/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.55 g/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.55 g/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.59 g/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.96 g/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 4.4 g/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.55 g/L | Amanzi Angavinjelwe pH 6.00; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 1.5 x 10-3 mol/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 9.6 x 10-3 mol/L | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.3 x 10-3 mol/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.6 x 10-3 mol/L | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.5 x 10-3 mol/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.5 x 10-3 mol/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| I-Molar Solubility | 1.5 x 10-3 mol/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.5 x 10-3 mol/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.6 x 10-3 mol/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 2.6 x 10-3 mol/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 0.012 mol/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.5 x 10-3 mol/L | Amanzi Angavinjelwe pH 6.00; Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 367.36 | ||
| pKa | 9.16±0.20 | Izinga Le-Acidic Elikhulu: 25 °C | (1) ACD |
| pKa | 1.73±0.10 | Izinga Lokushisa Eziyisisekelo: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ukuminyana
| Impahla | Inani | Isimo | Umthombo |
| Ukuminyana | 1.68±0.1 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
| Ivolumu ye-Molar | 217.6±7.0 cm3/mol | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Lipinski
| Impahla | Inani | Isimo | Umthombo |
| Amabhondi Ashintshashintshayo Ngokukhululekile | 6 | (1) ACD | |
| H Abamukelayo | 11 | (1) ACD | |
| H Abanikeli | 4 | (1) ACD | |
| H Isamba Somnikeli/Umamukeli | 15 | (1) ACD | |
| logP | -0.464±0.636 | Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 367.36 |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Okuhlobene Nesakhiwo
| Impahla | Inani | Isimo | Umthombo |
| Indawo ye-Polar Surface | 147 A2 | (1) ACD | |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Spectra iyatholakala
1H NMR
I-Spectra iyatholakala
13C NMR
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