Structure Database (LMSD)

Common Name
2,3-dihydroxy-valeric acid
Systematic Name
2,3-dihydroxy-pentanoic acid
Synonyms
LM ID
LMFA01050384
Formula
Exact Mass
Calculate m/z
134.05791
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
CJXCLBPFKGZXJP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O4/c1-2-3(6)4(7)5(8)9/h3-4,6-7H,2H2,1H3,(H,8,9)
SMILES (Click to copy)
C(=O)(O)C(O)C(O)CC

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 127.58
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP -0.22
Molar Refractivity 30.96

Admin

Created at
-
Updated at
-