Structure database (LMSD)

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LM IDLMFA07020001
Common Name2S,3R-didecanoyl-docosane-2,3-diol
Systematic Name2S,3R-didecanoyl-docosane-2,3-diol
Synonyms-
Exact Mass
650.6213 (neutral)    Calculate m/z:
FormulaC42H82O4
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax diesters [FA0702]
PubChem CID5388883
InChIKeyHUAWYSBBXLTGLE-IOLBBIBUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C42H82O4/c1-5-8-11-14-17-18-19-20-21-22-23-24-25-26-29-30-33-36-40(46-4
2(44)38-35-32-28-16-13-10-7-3)39(4)45-41(43)37-34-31-27-15-12-9-6-2/h39-40H,5-38
H2,1-4H3/t39-,40+/m0/s1
SMILESCCCCCCCCCCCCCCCCCCC[C@](OC(CCCCCCCCC)=O)([H])[C@](OC(CCCCCCCCC)=O)([H])C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms46Rings0Aromatic Rings0Rotatable Bonds39
 van der Waals
Molecular Volume
765.04Topological Polar
Surface Area
52.60Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
4
 logP14.73Molar
Refractivity
200.46