C15H21N5O6 Guanosine, 2′-O-methyl-N-(2-methyl-1-oxopropyl)- (9CI, ACI)
| Pangunahing Pisikal na Katangian | Halaga | Kundisyon |
| Molekular na Timbang | 367.36 | - |
| Densidad (Hula) | 1.68±0.1 g/cm3 | Temp: 20 °C; Pindutin ang: 760 Torr |
| pKa (Hula) | 9.16±0.20 | Pinakamaasim na Temp: 25 °C |
Canonical SMILES 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)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
Susi ng InChI
RPULCYXEYODQOG-AKAIJSEGSA-N
2 Iba pang Pangalan para sa Substansyang ito
2′-O-Methyl-N-(2-methyl-1-oxopropyl)guanosine (ACI);N2-Isobutyryl-2′-O-methylguanosine
Available ang spectra
1H NMR
13C NMR
Ang misa
| Available ang mga property |
| Biyolohikal |
| Kemikal |
| Densidad |
| Lipinski |
| Kaugnay na Istruktura |
Biyolohikal
| Ari-arian | Halaga | Kundisyon | Pinagmulan |
| Salik ng Bioconcentration | 1.0 | pH 1; Temp: 25 °C | (1) ACD |
| Salik ng Bioconcentration | 1.0 | pH 2; Temp: 25 °C | (1) ACD |
| Salik ng Bioconcentration | 1.0 | pH 3; Temp: 25 °C | (1) ACD |
| Salik ng Bioconcentration | 1.0 | pH 4; Temp: 25 °C | (1) ACD |
| Salik ng Bioconcentration | 1.0 | pH 5; Temp: 25 °C | (1) ACD |
| Salik ng Bioconcentration | 1.0 | pH 6; Temp: 25 °C | (1) ACD |
| Salik ng Bioconcentration | 1.0 | pH 7; Temp: 25 °C | (1) ACD |
| Salik ng Bioconcentration | 1.0 | pH 8; Temp: 25 °C | (1) ACD |
| Salik ng Bioconcentration | 1.0 | pH 9; Temp: 25 °C | (1) ACD |
| Salik ng Bioconcentration | 1.0 | pH 10; Temp: 25 °C | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kemikal
| Ari-arian | Halaga | Kundisyon | Pinagmulan |
| Sinabi ni Koc | 2.12 | pH 1; Temp: 25 °C | (1) ACD |
| Sinabi ni Koc | 8.67 | pH 2; Temp: 25 °C | (1) ACD |
| Sinabi ni Koc | 12.6 | pH 3; Temp: 25 °C | (1) ACD |
| Sinabi ni Koc | 13.3 | pH 4; Temp: 25 °C | (1) ACD |
| Sinabi ni Koc | 13.3 | pH 5; Temp: 25 °C | (1) ACD |
| Sinabi ni Koc | 13.3 | pH 6; Temp: 25 °C | (1) ACD |
| Sinabi ni Koc | 13.2 | pH 7; Temp: 25 °C | (1) ACD |
| Ari-arian | Halaga | Kundisyon | Pinagmulan |
| Sinabi ni Koc | 12.5 | pH 8; Temp: 25 °C | (1) ACD |
| Sinabi ni Koc | 7.85 | pH 9; Temp: 25 °C | (1) ACD |
| Sinabi ni 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 |
| Mass Intrinsic Solubility | 0.55 g/L | Temp: 25 °C | (1) ACD |
| Mass Solubility | 3.5 g/L | pH 1; Temp: 25 °C | (1) ACD |
| Mass Solubility | 0.84 g/L | pH 2; Temp: 25 °C | (1) ACD |
| Mass Solubility | 0.59 g/L | pH 3; Temp: 25 °C | (1) ACD |
| Mass Solubility | 0.55 g/L | pH 4; Temp: 25 °C | (1) ACD |
| Mass Solubility | 0.55 g/L | pH 5; Temp: 25 °C | (1) ACD |
| Mass Solubility | 0.55 g/L | pH 6; Temp: 25 °C | (1) ACD |
| Mass Solubility | 0.55 g/L | pH 7; Temp: 25 °C | (1) ACD |
| Mass Solubility | 0.59 g/L | pH 8; Temp: 25 °C | (1) ACD |
| Mass Solubility | 0.96 g/L | pH 9; Temp: 25 °C | (1) ACD |
| Mass Solubility | 4.4 g/L | pH 10; Temp: 25 °C | (1) ACD |
| Mass Solubility | 0.55 g/L | Unbuffered Water pH 6.00; Temp: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.5 x 10-3 mol/L | Temp: 25 °C | (1) ACD |
| Molar Solubility | 9.6 x 10-3 mol/L | pH 1; Temp: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-3 mol/L | pH 2; Temp: 25 °C | (1) ACD |
| Molar Solubility | 1.6 x 10-3 mol/L | pH 3; Temp: 25 °C | (1) ACD |
| Molar Solubility | 1.5 x 10-3 mol/L | pH 4; Temp: 25 °C | (1) ACD |
| Molar Solubility | 1.5 x 10-3 mol/L | pH 5; Temp: 25 °C | (1) ACD |
| Ari-arian | Halaga | Kundisyon | Pinagmulan |
| Molar Solubility | 1.5 x 10-3 mol/L | pH 6; Temp: 25 °C | (1) ACD |
| Molar Solubility | 1.5 x 10-3 mol/L | pH 7; Temp: 25 °C | (1) ACD |
| Molar Solubility | 1.6 x 10-3 mol/L | pH 8; Temp: 25 °C | (1) ACD |
| Molar Solubility | 2.6 x 10-3 mol/L | pH 9; Temp: 25 °C | (1) ACD |
| Molar Solubility | 0.012 mol/L | pH 10; Temp: 25 °C | (1) ACD |
| Molar Solubility | 1.5 x 10-3 mol/L | Unbuffered Water pH 6.00; Temp: 25 °C | (1) ACD |
| Molekular na Timbang | 367.36 | ||
| pKa | 9.16±0.20 | Pinakamaasim na Temp: 25 °C | (1) ACD |
| pKa | 1.73±0.10 | Karamihan sa Pangunahing Temp: 25 °C | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Densidad
| Ari-arian | Halaga | Kundisyon | Pinagmulan |
| Densidad | 1.68±0.1 g/cm3 | Temp: 20 °C; Pindutin ang: 760 Torr | (1) ACD |
| Dami ng Molar | 217.6±7.0 cm3/mol | Temp: 20 °C; Pindutin ang: 760 Torr | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ari-arian | Halaga | Kundisyon | Pinagmulan |
| Mga Malayang Naiikot na Bono | 6 | (1) ACD | |
| H Mga Tatanggap | 11 | (1) ACD | |
| H Mga Donor | 4 | (1) ACD | |
| H Donor/Acceptor Sum | 15 | (1) ACD | |
| logP | -0.464±0.636 | Temp: 25 °C | (1) ACD |
| Molekular na Timbang | 367.36 |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kaugnay na Istruktura
| Ari-arian | Halaga | Kundisyon | Pinagmulan |
| Polar Surface Area | 147 A2 | (1) ACD | |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Available ang spectra
1H NMR
Available ang spectra
13C NMR
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