8YV
Summary
Name: | 2-keto-D-gluconic acid |
Synonyms: | (3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid D-fructosonic acid |
Formula: | C6 H10 O7 |
Formal charge: | 0 |
Formula weight: | 194.139 Da |
Component type: | D-saccharide |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | D-fructosonic acid |
OpenEye OEToolkits | 2.0.6 | (3~{S},4~{R},5~{R})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(C(CO)O)(O)C(C(C(=O)O)=O)O |
InChI | InChI | 1.03 | InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3-,4+/m1/s1 |
InChIKey | InChI | 1.03 | VBUYCZFBVCCYFD-JJYYJPOSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)C(O)=O |
SMILES | CACTVS | 3.385 | OC[CH](O)[CH](O)[CH](O)C(=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C([C@H]([C@H]([C@@H](C(=O)C(=O)O)O)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | C(C(C(C(C(=O)C(=O)O)O)O)O)O |