ChemSpider 2D Image | 7,7'-Dihydroxy-5'-methoxy-2',2'-dimethyl-4-oxo-3',4'-dihydro-2'H,4H-3,6'-bichromen-5-yl hexopyranosiduronic acid | C27H28O13

7,7'-Dihydroxy-5'-methoxy-2',2'-dimethyl-4-oxo-3',4'-dihydro-2'H,4H-3,6'-bichromen-5-yl hexopyranosiduronic acid

  • Molecular FormulaC27H28O13
  • Average mass560.503 Da
  • Monoisotopic mass560.153015 Da
  • ChemSpider ID74886535

More details:

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

[3,6'-Bi-4H-1-benzopyran]-4-one, 5-(hexopyranuronosyloxy)-2',3'-dihydro-7,7'-dihydroxy-5'-methoxy-2',2'-dimethyl- [ACD/Index Name]
7,7'-Dihydroxy-5'-methoxy-2',2'-dimethyl-4-oxo-3',4'-dihydro-2'H,4H-3,6'-bichromen-5-yl hexopyranosiduronic acid [ACD/IUPAC Name]
7,7'-Dihydroxy-5'-methoxy-2',2'-dimethyl-4-oxo-3',4'-dihydro-2'H,4H-3,6'-bichromen-5-ylhexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide hexopyranosiduronique de 7,7'-dihydroxy-5'-méthoxy-2',2'-diméthyl-4-oxo-3',4'-dihydro-2'H,4H-3,6'-bichromén-5-yle [French] [ACD/IUPAC Name]
3,4,5-trihydroxy-6-{[7-hydroxy-3-(7-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-4-oxochromen-5-yl]oxy}oxane-2-carboxylic acid
3,4,5-trihydroxy-6-{[7-hydroxy-3-(7-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-4-oxo-4H-chromen-5-yl]oxy}oxane-2-carboxylic acid

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

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

Density: 1.6±0.1 g/cm3
Boiling Point: 915.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.4±3.0 kJ/mol
Flash Point: 307.0±27.8 °C
Index of Refraction: 1.669
Molar Refractivity: 133.3±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.02
ACD/LogD (pH 5.5): -1.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 78.0±3.0 dyne/cm
Molar Volume: 357.2±3.0 cm3

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