DER
Summary
Name: | D-4-PHOSPHOERYTHRONIC ACID |
Formula: | C4 H9 O8 P |
Formal charge: | 0 |
Formula weight: | 216.083 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (2R,3S)-2,3-dihydroxy-4-(phosphonooxy)butanoic acid |
OpenEye OEToolkits | 1.5.0 | (2R,3S)-2,3-dihydroxy-4-phosphonooxy-butanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC(O)C(O)C(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H](CO[P](O)(O)=O)[C@@H](O)C(O)=O |
SMILES | CACTVS | 3.341 | O[CH](CO[P](O)(O)=O)[CH](O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]([C@H](C(=O)O)O)O)OP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(C(=O)O)O)O)OP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/t2-,3+/m0/s1 |
InChIKey | InChI | 1.03 | ZCZXOHUILRHRQJ-STHAYSLISA-N |