diethyl 2-hydroxyglutarate

ScientificNameLabel

diethyl 2-hydroxyglutarate
PHCD compound ID :	657
Chemical Names :	diethyl 2-hydroxyglutarate
Molecular Formula :	C9H16O5
Molecular Weight :	204.099774

More Details :

Names & Synonyms:	diethyl 2-hydroxypentanedioate , 2-hydroxypentanedioic acid diethyl ester , diethyl 2-oxidanylpentanedioate , 2-hydroxyglutaric acid diethyl ester
Smiles:	CCOC(=O)CC[C@@H](C(=O)OCC)O
InChi :	InChI=1S/C9H16O5/c1-3-13-8(11)6-5-7(10)9(12)14-4-2/h7,10H,3-6H2,1-2H3/t7-/m0/s1
InChi Key :	InChIKey=DYLHSDCNOUDICA-ZETCQYMHSA-N
PubChem ID :	13270883

Rotatable bond count :	8	Rule of five :	0
Hydrogen bond acceptor count :	5	Ionization potential :	10.690779
Hydrogen bond donor count :	1	Electric dipole moment :	2.585
XLogP :	0.372	VDW volume :	202.898536
Molecular weight :	204.099774	HOMO-LUMO gap :	11.397000

Herb list :

Grape, Vine grape - Vitis vinifera - انگور

Refrences & Litretures:


40. Journal:'J. Agric. Food Chem' Year:'2003' Volume:'51' Page:'5408' DOI:'10.1021/jf030087i' Title:'Aroma Composition of Vitis vinifera Cv. Tannat: the Typical Red Wine from Uruguay'

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