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Dihydroxypalmitic acid
PHCD compound ID : 3255
Chemical Names :
Dihydroxypalmitic acid
Molecular Formula : C16H32O4
Molecular Weight : 288.23006
More Details :
Names & Synonyms: 2,2-dihydroxyhexadecanoic acid , 2,2-bis(oxidanyl)hexadecanoic acid , 2,2-dihydroxypalmitic acid
Smiles: CCCCCCCCCCCCCCC(C(=O)O)(O)O
InChi : InChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(19,20)15(17)18/h19-20H,2-14H2,1H3,(H,17,18)
InChi Key : InChIKey=HAFGDDFWCDLGEW-UHFFFAOYSA-N
PubChem ID : 53866632
Rotatable bond count : 14 Rule of five : 2
Hydrogen bond acceptor count : 4 Ionization potential : 10.838223
Hydrogen bond donor count : 3 Electric dipole moment : 1.588
XLogP : 5.71 VDW volume : 317.816661
Molecular weight : 288.23006 HOMO-LUMO gap : 11.240000
Herb list :
Refrences & Litretures:
  
443.      Journal:'Food Chemistry'      Year:'2015'      Volume:'166'      Page:'179'      DOI:'10.1016/j.foodchem.2014.06.011'      Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'
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