KSV
Summary
| Name: | (2R)-2,3-dihydroxypropyl ethyl hydrogen (S)-phosphate |
| Formula: | C5 H13 O6 P |
| Formal charge: | 0 |
| Formula weight: | 200.127 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2,3-dihydroxypropyl ethyl hydrogen (S)-phosphate |
| OpenEye OEToolkits | 2.0.6 | [(2~{R})-2,3-bis(oxidanyl)propyl] ethyl hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C)OP(=O)(OCC(CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H13O6P/c1-2-10-12(8,9)11-4-5(7)3-6/h5-7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | DXARXEBAXKHIOU-RXMQYKEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCO[P](O)(=O)OC[C@H](O)CO |
| SMILES | CACTVS | 3.385 | CCO[P](O)(=O)OC[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOP(=O)(O)OC[C@@H](CO)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCOP(=O)(O)OCC(CO)O |
