G31
Summary
| Name: | 3'-METHYL-2',3'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE |
| Formula: | C11 H16 N5 O6 P |
| Formal charge: | 0 |
| Formula weight: | 345.248 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2',3'-dideoxy-3'-methylguanosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2S,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-methyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2ncn(c2N=C(N)N1)C3OC(C(C3)C)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)N |
| SMILES | CACTVS | 3.341 | C[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n2cnc3c2N=C(NC3=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1CC(OC1COP(=O)(O)O)n2cnc3c2N=C(NC3=O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H16N5O6P/c1-5-2-7(22-6(5)3-21-23(18,19)20)16-4-13-8-9(16)14-11(12)15-10(8)17/h4-7H,2-3H2,1H3,(H2,18,19,20)(H3,12,14,15,17)/t5-,6+,7+/m0/s1 |
| InChIKey | InChI | 1.03 | VFWJQBRJIASDIP-RRKCRQDMSA-N |
