Structure Database (LMSD)

Common Name
Glucaric acid
Systematic Name
2S,3S,4S,5R-tetrahydroxy-hexanedioic acid
Synonyms
LM ID
LMFA01170108
Formula
C6H10O8
Exact Mass
Calculate m/z
210.03757
Sum Composition
FA 6:1;O6
Status
Active
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Dicarboxylic acids [FA0117]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
DSLZVSRJTYRBFB-LLEIAEIESA-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+/m0/s1
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
HMDB0000663
CHEBI ID
16002
PubChem CID
33037

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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