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Stearic acid,2-hydroxy-1-(hydroxymethyl) ethyl ester
PHCD compound ID : 3999
Chemical Names :
Stearic acid,2-hydroxy-1-(hydroxymethyl) ethyl ester
Molecular Formula : C21H42O4
Molecular Weight : 358.30831
More Details :
Names & Synonyms: [2-hydroxy-1-(hydroxymethyl)ethyl] octadecanoate , octadecanoic acid 1,3-dihydroxypropan-2-yl ester , 1,3-dihydroxypropan-2-yl octadecanoate , 1,3-bis(oxidanyl)propan-2-yl octadecanoate , stearic acid (2-hydroxy-1-methylol-ethyl) ester
Smiles: CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
InChi : InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3
InChi Key : InChIKey=YQEMORVAKMFKLG-UHFFFAOYSA-N
PubChem ID : 79075
Rotatable bond count : 20 Rule of five : 2
Hydrogen bond acceptor count : 4 Ionization potential : 10.395633
Hydrogen bond donor count : 2 Electric dipole moment : 4.492
XLogP : 7.648 VDW volume : 404.296584
Molecular weight : 358.30831 HOMO-LUMO gap : 11.183000
Herb list :
Refrences & Litretures:
  
546.      Journal:'Food Chemistry'      Year:'2007'      Volume:'102'      Page:'1096'      DOI:'10.1016/j.foodchem.2006.06.047'      Title:'Chemical and biological variability of hot pepper fruits (Capsicum annuum var. acuminatum L.) in relation to maturity stage'
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