Sulfurous acid, butyl heptadecyl ester

ScientificNameLabel

Sulfurous acid, butyl heptadecyl ester
PHCD compound ID :	3838
Chemical Names :	Sulfurous acid, butyl heptadecyl ester
Molecular Formula :	C21H44O3S1
Molecular Weight :	376.301116

More Details :

Names & Synonyms:	butyl heptadecyl sulfite , sulfurous acid butyl heptadecyl ester
Smiles:	CCCCCCCCCCCCCCCCCO[S@](=O)OCCCC
InChi :	InChI=1S/C21H44O3S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-25(22)23-20-6-4-2/h3-21H2,1-2H3/t25-/m1/s1
InChi Key :	InChIKey=PZRHCVOTNDMHTG-RUZDIDTESA-N
PubChem ID :	6420807

Rotatable bond count :	21	Rule of five :	2
Hydrogen bond acceptor count :	3	Ionization potential :	9.458624
Hydrogen bond donor count :	0	Electric dipole moment :	1.321
XLogP :	8.427	VDW volume :	416.65184
Molecular weight :	376.301116	HOMO-LUMO gap :	10.178000

Herb list :

Aloe - Aloe vera - صبر زرد

Refrences & Litretures:


515. Journal:'World J. Agric. Sci' Year:'2009' Volume:'5' Page:'572' DOI:'' Title:'Analysis of Phytochemical Constituents and Antimicrobial Activities of Aloe vera L. Against Clinical Pathogens'

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