Structure Database (LMSD)

Common Name
(R) 2,3-Dihydroxy-3-methylvalerate
Systematic Name
(2R,3R)-2,3-dihydroxy-3-methylpentanoic acid
Synonyms
LM ID
LMFA01050452
Status
Active
Exact Mass
Calculate m/z
148.07356
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
PDGXJDXVGMHUIR-UJURSFKZSA-N
InChi (Click to copy)
InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)/t4-,6+/m0/s1
SMILES (Click to copy)
[C@](O)(C)(CC)[C@@H](O)C(=O)O

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 144.88
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 0.17
Molar Refractivity 35.58

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Created at
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Updated at
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