Octadecanoic acid,2,3-dihydroxypropyl ester

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Octadecanoic acid,2,3-dihydroxypropyl ester
PHCD compound ID :	5471
Chemical Names :	Octadecanoic acid,2,3-dihydroxypropyl ester
Molecular Formula :	C21H42O4
Molecular Weight :	358.30831

More Details :

Names & Synonyms:	2,3-dihydroxypropyl octadecanoate , octadecanoic acid 2,3-dihydroxypropyl ester , 2,3-bis(oxidanyl)propyl octadecanoate , stearic acid glyceryl ester
Smiles:	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O
InChi :	InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3/t20-/m1/s1
InChi Key :	InChIKey=VBICKXHEKHSIBG-HXUWFJFHSA-N
PubChem ID :	24699

Rotatable bond count :	20	Rule of five :	2
Hydrogen bond acceptor count :	4	Ionization potential :	10.661993
Hydrogen bond donor count :	2	Electric dipole moment :	3.241
XLogP :	7.648	VDW volume :	404.296584
Molecular weight :	358.30831	HOMO-LUMO gap :	11.653000

Herb list :

- Anacyclus pyrethrum - عاقرقرحا

Refrences & Litretures:


911. Journal:'Indian Journal of Pharmaceutical Education and Research' Year:'2017' Volume:'51' Page:'S244' DOI:'10.5530/ijper.51.3s.22' Title:'Antimicrobial Activity and Chemical Composition Screening of Anacyclus pyrethrum Root'

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