DP6
Summary
| Name: | (3R)-3-HYDROXY-5-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}-3-METHYLPENTANOIC ACID |
| Formula: | C6 H14 O10 P2 |
| Formal charge: | 0 |
| Formula weight: | 308.117 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R)-3-hydroxy-5-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylpentanoic acid |
| OpenEye OEToolkits | 1.5.0 | (3R)-3-hydroxy-5-(hydroxy-phosphonooxy-phosphoryl)oxy-3-methyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OP(=O)(OCCC(O)(C)CC(=O)O)O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@](O)(CCO[P@](O)(=O)O[P](O)(O)=O)CC(O)=O |
| SMILES | CACTVS | 3.341 | C[C](O)(CCO[P](O)(=O)O[P](O)(O)=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CCOP(=O)(O)OP(=O)(O)O)(CC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)/t6-/m1/s1 |
| InChIKey | InChI | 1.03 | SIGQQUBJQXSAMW-ZCFIWIBFSA-N |
