A1LXD
Summary
Name: | D-2-keto-3-deoxypentonate |
Synonyms: | (2~{S},4~{S})-2,4-bis(oxidanyl)oxolane-2-carboxylic acid |
Formula: | C5 H8 O5 |
Formal charge: | 0 |
Formula weight: | 148.114 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | (2~{S},4~{S})-2,4-bis(oxidanyl)oxolane-2-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C5H8O5/c6-3-1-5(9,4(7)8)10-2-3/h3,6,9H,1-2H2,(H,7,8)/t3-,5-/m0/s1 |
InChIKey | InChI | 1.06 | DONPUMGGARYEMQ-UCORVYFPSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CO[C@@](O)(C1)C(O)=O |
SMILES | CACTVS | 3.385 | O[CH]1CO[C](O)(C1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H](CO[C@@]1(C(=O)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | C1C(COC1(C(=O)O)O)O |