Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01170108
Common NameGlucaric acid
Systematic Name2S,3S,4S,5R-tetrahydroxy-hexanedioic acid
Synonyms-
Exact Mass
210.0376 (neutral)    Calculate m/z:
FormulaC6H10O8
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
PubChem CID33037
HMDB IDHMDB0000663
InChIKeyDSLZVSRJTYRBFB-LLEIAEIESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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
SMILESC(=O)(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
177.40Topological Polar
Surface Area
155.52Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
8
 logP-2.26Molar
Refractivity
41.35