3-beta-D-glucopyranosyloxy-3-methylbutyronitrile

ScientificNameLabel

3-beta-D-glucopyranosyloxy-3-methylbutyronitrile
PHCD compound ID :	2406
Chemical Names :	3-beta-D-glucopyranosyloxy-3-methylbutyronitrile
Molecular Formula :	C11H19N1O6
Molecular Weight :	261.121237

More Details :

Names & Synonyms:
Smiles:	OC[C@H]1O[C@@H](OCC(C#N)(C)C)[C@@H]([C@H]([C@@H]1O)O)O
InChi :	InChI=1S/C11H19NO6/c1-11(2,4-12)5-17-10-9(16)8(15)7(14)6(3-13)18-10/h6-10,13-16H,3,5H2,1-2H3/t6-,7-,8+,9-,10-/m1/s1
InChi Key :	InChIKey=DYUODQWEEGZOMJ-HOTMZDKISA-N
PubChem ID :

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	7	Ionization potential :	10.542810
Hydrogen bond donor count :	4	Electric dipole moment :	4.097
XLogP :	-1.462	VDW volume :	244.921034
Molecular weight :	261.121237	HOMO-LUMO gap :	11.505000

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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