7FI

(2R,3R)-6-methyl-2,3-bis(oxidanyl)heptanoic acid

Created:2021-08-04
Last modified:  2022-08-10

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count2
Bond Count27
Aromatic Bond Count0
2D diagram of 7FI

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Chemical Component Summary

Name(2R,3R)-6-methyl-2,3-bis(oxidanyl)heptanoic acid
Synonyms2R,3R-2,3-dihydroxy-6-methyl-heptanoate
Systematic Name (OpenEye OEToolkits)(2~{R},3~{R})-6-methyl-2,3-bis(oxidanyl)heptanoic acid
FormulaC8 H16 O4
Molecular Weight176.21
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CC(C)CC[CH](O)[CH](O)C(O)=O
SMILESOpenEye OEToolkits2.0.7CC(C)CCC(C(C(=O)O)O)O
Canonical SMILESCACTVS3.385 CC(C)CC[C@@H](O)[C@@H](O)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CC(C)CC[C@H]([C@H](C(=O)O)O)O
InChIInChI1.03 InChI=1S/C8H16O4/c1-5(2)3-4-6(9)7(10)8(11)12/h5-7,9-10H,3-4H2,1-2H3,(H,11,12)/t6-,7-/m1/s1
InChIKeyInChI1.03 GGZLDTFSYRKUEP-RNFRBKRXSA-N

Related Resource References

Resource NameReference
PubChem 164607201