A6G
Summary
| Name: | 2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol |
| Synonyms: | ((2R,3S,4S,5R)-5-(2-amino-6-oxo-1H-purin-9(6H)-yl)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphate |
| Formula: | C11 H16 N5 O8 P |
| Formal charge: | 0 |
| Formula weight: | 377.247 Da |
| Component type: | RNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol |
| OpenEye OEToolkits | 1.7.0 | [(2R,3S,4S,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC3OCC(n2cnc1c2N=C(N)NC1=O)C(O)C3O |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=Nc2n(cnc2C(=O)N1)[C@@H]3CO[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.370 | NC1=Nc2n(cnc2C(=O)N1)[CH]3CO[CH](CO[P](O)(O)=O)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1nc2c(n1[C@@H]3CO[C@@H]([C@H]([C@H]3O)O)COP(=O)(O)O)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1nc2c(n1C3COC(C(C3O)O)COP(=O)(O)O)N=C(NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H16N5O8P/c12-11-14-9-6(10(19)15-11)13-3-16(9)4-1-23-5(8(18)7(4)17)2-24-25(20,21)22/h3-5,7-8,17-18H,1-2H2,(H2,20,21,22)(H3,12,14,15,19)/t4-,5-,7+,8-/m1/s1 |
| InChIKey | InChI | 1.03 | SFDKINXNYLIXHS-HXOWADHMSA-N |
