BMR
Summary
| Name: | ((2R,3S,5R)-3-hydroxy-5-(3-methoxynaphthalen-2-yl)methyl-tetrahydrogen-triphosphate |
| Synonyms: | dNaM-Triphosphate |
| Formula: | C16 H21 O13 P3 |
| Formal charge: | 0 |
| Formula weight: | 514.251 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | [[(2R,3S,5R)-5-(3-methoxynaphthalen-2-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H21O13P3/c1-25-14-7-11-5-3-2-4-10(11)6-12(14)15-8-13(17)16(27-15)9-26-31(21,22)29-32(23,24)28-30(18,19)20/h2-7,13,15-17H,8-9H2,1H3,(H,21,22)(H,23,24)(H2,18,19,20)/p-4/t13-,15+,16+/m0/s1 |
| InChIKey | InChI | 1.03 | OYLYLYUMXXAEFZ-NUEKZKHPSA-J |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2ccccc2cc1[C@H]3C[C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3 |
| SMILES | CACTVS | 3.385 | COc1cc2ccccc2cc1[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc2ccccc2cc1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc2ccccc2cc1C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
