N6P
Summary
| Name: | 6-(naphthalen-2-yl)-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine |
| Synonyms: | 6-Naphthylpurine riboside 5'-monophosphate |
| Formula: | C20 H19 N4 O7 P |
| Formal charge: | 0 |
| Formula weight: | 458.361 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(naphthalen-2-yl)-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine |
| OpenEye OEToolkits | 1.9.2 | [(2R,3S,4R,5R)-5-(6-naphthalen-2-ylpurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC5OC(n2cnc1c(ncnc12)c4cc3ccccc3cc4)C(O)C5O |
| InChI | InChI | 1.03 | InChI=1S/C20H19N4O7P/c25-17-14(8-30-32(27,28)29)31-20(18(17)26)24-10-23-16-15(21-9-22-19(16)24)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,14,17-18,20,25-26H,8H2,(H2,27,28,29)/t14-,17-,18-,20-/m1/s1 |
| InChIKey | InChI | 1.03 | LQGRESLLVHYRLI-VXXKDZQQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c2ncnc3c4ccc5ccccc5c4 |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c2ncnc3c4ccc5ccccc5c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2cc(ccc2c1)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2cc(ccc2c1)c3c4c(ncn3)n(cn4)C5C(C(C(O5)COP(=O)(O)O)O)O |
