PED
Summary
| Name: | PENTANE-3,4-DIOL-5-PHOSPHATE |
| Synonyms: | OPEN FORM OF 1'-2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE |
| Formula: | C5 H13 O6 P |
| Formal charge: | 0 |
| Formula weight: | 200.127 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1,2-dideoxy-5-O-phosphono-D-erythro-pentitol |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S)-2,3-dihydroxypentyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC(O)C(O)CC |
| InChI | InChI | 1.03 | InChI=1S/C5H13O6P/c1-2-4(6)5(7)3-11-12(8,9)10/h4-7H,2-3H2,1H3,(H2,8,9,10)/t4-,5+/m0/s1 |
| InChIKey | InChI | 1.03 | FQKLTSRHTQGSQZ-CRCLSJGQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](O)[C@H](O)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](O)[CH](O)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | CC[C@@H]([C@@H](COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.5 | CCC(C(COP(=O)(O)O)O)O |
