ChemSpider 2D Image | luteolin 7-O-[(beta-D-glucosyluronic acid)-(1->2)-(beta-D-glucosiduronic acid)] | C27H26O17

luteolin 7-O-[(β-D-glucosyluronic acid)-(1->2)-(β-D-glucosiduronic acid)]

  • Molecular FormulaC27H26O17
  • Average mass622.485 Da
  • Monoisotopic mass622.117004 Da
  • ChemSpider ID13085534

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-4-oxo-4H-chromen-7-yl-2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-[(2-O-β-D-glucopyranuronosyl-β-D-glucopyranuronosyl)oxy]- [ACD/Index Name]
Acide 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronique de 2-(3,4-dihydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
luteolin 7-O-[(β-D-glucosyluronic acid)-(1->2)-(β-D-glucosiduronic acid)]
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl (β-D-glucopyranosyluronic acid)-(1->2)-(β-D-glucopyranosiduronic acid)
luteolin 7-O-[β-D-glucuronosyl-(1->2)-β-D-glucuronide]
luteolin 7-O-β-D-diglucuronide
missing

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1045.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.2±3.0 kJ/mol
Flash Point: 345.9±27.8 °C
Index of Refraction: 1.767
Molar Refractivity: 137.1±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.57
ACD/LogD (pH 5.5): -6.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 279 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 129.5±5.0 dyne/cm
Molar Volume: 331.0±5.0 cm3

Click to predict properties on the Chemicalize site


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