02I
Summary
| Name: | (6S,7S,8S,10R)-4-amino-8-hydroxy-7,8,9,10-tetrahydro-6H-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate |
| Formula: | C10 H12 N5 O6 P |
| Formal charge: | 0 |
| Formula weight: | 329.206 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6S,7S,8S,10R)-4-amino-8-hydroxy-7,8,9,10-tetrahydro-6H-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OC3c2nc1c(ncnc1N)n2C4OC3C(O)C4 |
| InChI | InChI | 1.03 | InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15-4-1-3(16)6(20-4)7(10(15)14-5)21-22(17,18)19/h2-4,6-7,16H,1H2,(H2,11,12,13)(H2,17,18,19)/t3-,4+,6-,7+/m0/s1 |
| InChIKey | InChI | 1.03 | CFRPMSDTAMOMAA-VYFZPWGTSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1ncnc2n3[C@H]4C[C@H](O)[C@H](O4)[C@@H](O[P](O)(O)=O)c3nc12 |
| SMILES | CACTVS | 3.370 | Nc1ncnc2n3[CH]4C[CH](O)[CH](O4)[CH](O[P](O)(O)=O)c3nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1nc(c2c(n1)n3c(n2)[C@@H]([C@@H]4[C@H](C[C@H]3O4)O)OP(=O)(O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1nc(c2c(n1)n3c(n2)C(C4C(CC3O4)O)OP(=O)(O)O)N |
