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ScientificNameLabel
2-Monopalmitin
PHCD compound ID : 2984
Chemical Names :
2-Monopalmitin , Palmitic acid,2-hydroxy-1-(hydroxymethyl) ethyl ester
Molecular Formula : C19H38O4
Molecular Weight : 330.27701
More Details :
Names & Synonyms: [2-hydroxy-1-(hydroxymethyl)ethyl] hexadecanoate , hexadecanoic acid 1,3-dihydroxypropan-2-yl ester , 1,3-dihydroxypropan-2-yl hexadecanoate , 1,3-bis(oxidanyl)propan-2-yl hexadecanoate , palmitic acid (2-hydroxy-1-methylol-ethyl) ester
Smiles: CCCCCCCCCCCCCCCC(=O)OC(CO)CO
InChi : InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h18,20-21H,2-17H2,1H3
InChi Key : InChIKey=BBNYCLAREVXOSG-UHFFFAOYSA-N
PubChem ID : 123409
Rotatable bond count : 18 Rule of five : 2
Hydrogen bond acceptor count : 4 Ionization potential : 10.527754
Hydrogen bond donor count : 2 Electric dipole moment : 3.591
XLogP : 6.51 VDW volume : 369.704615
Molecular weight : 330.27701 HOMO-LUMO gap : 11.278000
Herb list :
Refrences & Litretures:
  
377.      Journal:'Pharmaceutical Biology'      Year:'2011'      Volume:'49'      Page:'756'      DOI:'10.3109/13880209.2010.547206'      Title:'Chemical constituents and bioactivities of the liposoluble fraction from different medicinal parts of Crocus sativus'
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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