PA6
Summary
| Name: | (R)-2-(FORMYLOXY)-3-(PHOSPHONOOXY)PROPYL PENTANOATE |
| Synonyms: | PHOSPHATIDIC ACID |
| Formula: | C9 H17 O8 P |
| Formal charge: | 0 |
| Formula weight: | 284.2 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-(formyloxy)-3-(phosphonooxy)propyl pentanoate |
| OpenEye OEToolkits | 1.5.0 | [(2R)-2-methanoyloxy-3-phosphonooxy-propyl] pentanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(OCC(OC=O)COC(=O)CCCC)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCC(=O)OC[C@H](CO[P](O)(O)=O)OC=O |
| SMILES | CACTVS | 3.341 | CCCCC(=O)OC[CH](CO[P](O)(O)=O)OC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCC(=O)OC[C@H](COP(=O)(O)O)OC=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCC(=O)OCC(COP(=O)(O)O)OC=O |
| InChI | InChI | 1.03 | InChI=1S/C9H17O8P/c1-2-3-4-9(11)15-5-8(16-7-10)6-17-18(12,13)14/h7-8H,2-6H2,1H3,(H2,12,13,14)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | JDTMNMAQWVSSOO-MRVPVSSYSA-N |
