Chemical Component Summary |
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Name | (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanoic acid |
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Synonyms | (2~{R},3~{S},4~{S},5~{S})-2,3,4,5-tetrakis(oxidanyl)hexanoic acid |
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Systematic Name (OpenEye OEToolkits) | (2~{R},3~{S},4~{S},5~{S})-2,3,4,5-tetrakis(oxidanyl)hexanoic acid |
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Formula | C6 H12 O6 |
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Molecular Weight | 180.156 |
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Type | NON-POLYMER |
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Chemical Descriptors |
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Type | Program | Version | Descriptor |
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SMILES | CACTVS | 3.385 | C[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(C(C(C(=O)O)O)O)O)O |
Canonical SMILES | CACTVS | 3.385 | C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C[C@@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3-,4-,5+/m0/s1 |
InChIKey | InChI | 1.03 | NBFWIISVIFCMDK-NEEWWZBLSA-N |