PPW
Summary
| Name: | 7-DEAZA-8-AZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE |
| Formula: | C10 H14 N5 O7 P |
| Formal charge: | 0 |
| Formula weight: | 347.221 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-5-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2cnn(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2n(ncc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3 |
| SMILES | CACTVS | 3.341 | NC1=Nc2n(ncc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c2c(n(n1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c2c(n(n1)C3CC(C(O3)COP(=O)(O)O)O)N=C(NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H14N5O7P/c11-10-13-8-4(9(17)14-10)2-12-15(8)7-1-5(16)6(22-7)3-21-23(18,19)20/h2,5-7,16H,1,3H2,(H2,18,19,20)(H3,11,13,14,17)/t5-,6+,7+/m0/s1 |
| InChIKey | InChI | 1.03 | KGWPGOYMIMMQGK-RRKCRQDMSA-N |
