ChemSpider 2D Image | 2-{4-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]phenyl}-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid | C27H28O15

2-{4-[(6-Deoxy-α-L-mannopyranosyl)oxy]phenyl}-5-hydroxy-4-oxo-4H-chromen-7-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC27H28O15
  • Average mass592.502 Da
  • Monoisotopic mass592.142822 Da
  • ChemSpider ID115269395

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-{4-[(6-Deoxy-α-L-mannopyranosyl)oxy]phenyl}-5-hydroxy-4-oxo-4H-chromen-7-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
2-{4-[(6-Desoxy-α-L-mannopyranosyl)oxy]phenyl}-5-hydroxy-4-oxo-4H-chromen-7-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[4-[(6-deoxy-α-L-mannopyranosyl)oxy]phenyl]-7-(β-D-glucopyranuronosyloxy)-5-hydroxy- [ACD/Index Name]
Acide β-D-glucopyranosiduronique de 2-{4-[(6-désoxy-α-L-mannopyranosyl)oxy]phényl}-5-hydroxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
Apigenin 7-glucuronide-4'-rhamnoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 950.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.9±3.0 kJ/mol
Flash Point: 316.4±27.8 °C
Index of Refraction: 1.712
Molar Refractivity: 135.9±0.3 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -3.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 242 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 99.0±3.0 dyne/cm
Molar Volume: 347.0±3.0 cm3

Click to predict properties on the Chemicalize site


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