ChemSpider 2D Image | (2S)-eriodictyol 7-O-(6''-O-galloyl)-beta-D-glucopyranoside | C28H26O15

(2S)-eriodictyol 7-O-(6''-O-galloyl)-β-D-glucopyranoside

  • Molecular FormulaC28H26O15
  • Average mass602.497 Da
  • Monoisotopic mass602.127197 Da
  • ChemSpider ID9105310

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(2S)-2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl-6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(2S)-eriodictyol 7-O-(6''-O-galloyl)-β-D-glucopyranoside
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-7-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]-, (2S)- [ACD/Index Name]
6-O-(3,4,5-Trihydroxybenzoyl)-β-D-glucopyranoside de (2S)-2-(3,4-dihydroxyphényl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside
  • Miscellaneous

    • Chemical Class:

      A monosaccharide derivative that is eriodictyol attached to a (6''-<element>O</element>-galloyl)-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl residue at position 7 via a glycosidic linkage . ChEBI CHEBI:85145
      A monosaccharide derivative that is eriodictyol attached to a (6''-O-galloyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. ChEBI CHEBI:85145
      A monosaccharide derivative that is eriodictyol attached to a (6''-O-galloyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage; . ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:85145

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 1036.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 158.8±3.0 kJ/mol
Flash Point: 343.6±27.8 °C
Index of Refraction: 1.741
Molar Refractivity: 141.4±0.3 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 12.34
ACD/KOC (pH 5.5): 208.81
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 3.69
ACD/KOC (pH 7.4): 62.47
Polar Surface Area: 253 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 101.1±3.0 dyne/cm
Molar Volume: 350.4±3.0 cm3

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