1-cyano-3-beta-D-glucopyranosyloxy-2-methylpropene

ScientificNameLabel

1-cyano-3-beta-D-glucopyranosyloxy-2-methylpropene
PHCD compound ID :	2407
Chemical Names :	1-cyano-3-beta-D-glucopyranosyloxy-2-methylpropene
Molecular Formula :	C11H17N1O6
Molecular Weight :	259.105587

More Details :

Names & Synonyms:
Smiles:	OC[C@H]1O[C@@H](OC/C(=C\C#N)/C)[C@@H]([C@H]([C@@H]1O)O)O
InChi :	InChI=1S/C11H17NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-11,13-16H,4-5H2,1H3/b6-2-/t7-,8-,9+,10-,11-/m1/s1
InChi Key :	InChIKey=DAVUWBZDLSJMFA-GMLQCYRESA-N
PubChem ID :

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	7	Ionization potential :	10.263214
Hydrogen bond donor count :	4	Electric dipole moment :	4.555
XLogP :	-1.661	VDW volume :	242.284575
Molecular weight :	259.105587	HOMO-LUMO gap :	9.936000

Herb list :

Barley - Hordeum vulgare - جو

Refrences & Litretures:


268. Journal:'Allelopathy Journal' Year:'2009' Volume:'24' Page:'225' DOI:'' Title:'Allelopathic Plants. 19. Barley (Hordeum vulgare L)'

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