Structure Database (LMSD)

Common Name
Galactaric acid
Systematic Name
2R,3S,4R,5S-tetrahydroxy-hexanedioic acid
Synonyms
LM ID
LMFA01170107
Status
Active
Exact Mass
Calculate m/z
210.03757
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)
DSLZVSRJTYRBFB-DUHBMQHGSA-N
InChi (Click to copy)
InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-
SMILES (Click to copy)
C(=O)(O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 177.40
Topological Polar Surface Area 155.52
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 8
logP -2.26
Molar Refractivity 41.35

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Created at
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Updated at
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