Structure Database (LMSD)

Common Name
3-hydroxy-2-methyl-[R-(R,S)]-butanoic acid
Systematic Name
3R-hydroxy-2S-methyl-butanoic acid
Synonyms
LM ID
LMFA01050393
Formula
Exact Mass
Calculate m/z
118.062995
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
VEXDRERIMPLZLU-DMTCNVIQSA-N
InChi (Click to copy)
InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t3-,4+/m1/s1
SMILES (Click to copy)
C(=O)(O)[C@H](C)[C@@H](O)C

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 118.79
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 0.37
Molar Refractivity 28.99

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Updated at
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