6HG
Summary
| Name: | 1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(GUANIN-9-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL |
| Formula: | C11 H16 N5 O7 P |
| Formal charge: | 0 |
| Formula weight: | 361.248 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-anhydro-2,3-dideoxy-6-O-phosphono-D-arabino-hexitol |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2NC(=Nc1n(cnc12)C3CC(O)C(OC3)COP(=O)(O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2n(cnc2C(=O)N1)[C@@H]3CO[C@H](CO[P](O)(O)=O)[C@@H](O)C3 |
| SMILES | CACTVS | 3.341 | NC1=Nc2n(cnc2C(=O)N1)[CH]3CO[CH](CO[P](O)(O)=O)[CH](O)C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1[C@H]3C[C@@H]([C@H](OC3)COP(=O)(O)O)O)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1C3CC(C(OC3)COP(=O)(O)O)O)N=C(NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H16N5O7P/c12-11-14-9-8(10(18)15-11)13-4-16(9)5-1-6(17)7(22-2-5)3-23-24(19,20)21/h4-7,17H,1-3H2,(H2,19,20,21)(H3,12,14,15,18)/t5-,6-,7+/m0/s1 |
| InChIKey | InChI | 1.03 | IBBBHRHYCFXRDW-LYFYHCNISA-N |
