HHG
Summary
| Name: | (2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATE |
| Synonyms: | 1-MONOHEXANOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHATE |
| Formula: | C9 H19 O7 P |
| Formal charge: | 0 |
| Formula weight: | 270.217 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-hydroxy-3-(phosphonooxy)propyl hexanoate |
| OpenEye OEToolkits | 1.5.0 | [(2S)-2-hydroxy-3-phosphonooxy-propyl] hexanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC(O)COC(=O)CCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCC(=O)OC[C@H](O)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCC(=O)OC[CH](O)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCC(=O)OC[C@@H](COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC(=O)OCC(COP(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H19O7P/c1-2-3-4-5-9(11)15-6-8(10)7-16-17(12,13)14/h8,10H,2-7H2,1H3,(H2,12,13,14)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | FIMVTNBZKNVWDN-QMMMGPOBSA-N |
