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Neoeriocitrin

Neoeriocitrin structure

CAS No:
13241-32-2
Formula:
C27H32O15
Chemical Name:
Neoeriocitrin
Synonyms:
4H-1-Benzopyran-4-one,7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-,(2S)-;Flavanone,3′,4′,5,7-tetrahydroxy-,7-[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside];4H-1-Benzopyran-4-one,7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-,(S)-;Flavanone,3′,4′,5,7-tetrahydroxy-,7-(2-O-α-L-rhamnopyranosyl-β-D-glucopyranoside);Glucopyranoside,eriodictyol-7 2-O-(6-deoxy-α-L-mannopyranosyl)-,β-D-;(2S)-7-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one;Neoeriocitrin;Eriodictyol 7-neohesperidoside;Eriodictyol 7-O-neohesperidoside;36790-48-4;39280-04-1
Categories:
Analytical Chemistry > Standard

Description

Off white powderChEBI: A flavanone glycoside that is eriodictyol substituted by a 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage.

Neoeriocitrin is a flavanone glycoside that is eriodictyol substituted by a 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has a role as a plant metabolite. It is a neohesperidoside, a disaccharide derivative, a trihydroxyflavanone, a flavanone glycoside and a member of 4'-hydroxyflavanones. It derives from an eriodictyol.

Neoeriocitrin Basic Attributes

Molecular Weight：

596.53

Exact Mass：

596.53

EC Number：

236-215-3

DSSTox ID：

DTXSID70157530

HScode：

29389090

Characteristics

PSA：

245.29000

XLogP3：

-1.45960

Density：

1.73±0.1 g/cm3 (20 ºC 760 Torr)

Melting Point：

277°C

Boiling Point：

960.7±65.0 °C(Predicted)

Flash Point：

318.3ºC

Refractive Index：

1.727

Water Solubility：

H2O: Very slightly soluble (0.27 g/L) (25 ºC)

Vapor Pressure：

0mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Drug Information

MeSH Entry Terms：

neoeriocitrin

Computed Properties

Molecular Weight:596.5
XLogP3:-0.9
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:6
Exact Mass:596.17412031
Monoisotopic Mass:596.17412031
Topological Polar Surface Area:245
Heavy Atom Count:42
Complexity:924
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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