Methyl heptacosanoate

ScientificNameLabel

Methyl heptacosanoate
PHCD compound ID :	3915
Chemical Names :	Methyl heptacosanoate
Molecular Formula :	C28H56O2
Molecular Weight :	424.428031

More Details :

Names & Synonyms:	methyl heptacosanoate , heptacosanoic acid methyl ester
Smiles:	CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
InChi :	InChI=1S/C28H56O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30-2/h3-27H2,1-2H3
InChi Key :	InChIKey=SCVPLVIKFSVDDH-UHFFFAOYSA-N
PubChem ID :	41517

Rotatable bond count :	26	Rule of five :	2
Hydrogen bond acceptor count :	2	Ionization potential :	10.517255
Hydrogen bond donor count :	0	Electric dipole moment :	1.809
XLogP :	14.15	VDW volume :	507.788023
Molecular weight :	424.428031	HOMO-LUMO gap :	11.635000

Herb list :

Jujube - Ziziphus jujuba - عناب

Refrences & Litretures:


535. Journal:'Journal of Food Composition and Analysis' Year:'2010' Volume:'23' Page:'706' DOI:'10.1016/j.jfca.2010.02.008' Title:'Phenolic, alpha-tocopherol, beta-carotene and fatty acid composition of four promising jujube (Ziziphus jujuba Miller) selections'

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