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Compound: 5546
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Glycerylpalmitate
ScientificNameLabel
Glycerylpalmitate
PHCD compound ID :
271
Chemical Names :
Glycerylpalmitate
Molecular Formula :
C19H36O5
Molecular Weight :
344.256274
More Details :
Names & Synonyms:
2,3-dihydroxypropanoyl hexadecanoate , hexadecanoic acid (2,3-dihydroxy-1-oxopropyl) ester , 2,3-bis(oxidanyl)propanoyl hexadecanoate , palmitic acid glyceroyl ester
Smiles:
CCCCCCCCCCCCCCCC(=O)OC(=O)[C@H](CO)O
InChi :
InChI=1S/C19H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)24-19(23)17(21)16-20/h17,20-21H,2-16H2,1H3/t17-/m0/s1
InChi Key :
InChIKey=OLMVJNKCKWEVJO-KRWDZBQOSA-N
PubChem ID :
23617476
Rotatable bond count :
18
Rule of five :
2
Hydrogen bond acceptor count :
5
Ionization potential :
10.696998
Hydrogen bond donor count :
2
Electric dipole moment :
5.264
XLogP :
6.698
VDW volume :
375.858383
Molecular weight :
344.256274
HOMO-LUMO gap :
10.933000
Herb list :
Ispaghula, Spogel seed plantain - Plantago ovata - اسفرزه، بارهنگ تخم مرغی
Refrences & Litretures:
14. Journal:'Phytochem. Anal. 2014, 25, 273' Year:'2014' Volume:'25' Page:'273' DOI:'10.1002/pca.2503' Title:'Chemometric Resolution Approaches in Characterisation of Volatile Constituents in Plantago ovata Seeds using Gas Chromatography–Mass Spectrometry: Methodology and Performance Assessment'
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