ChemSpider 2D Image | 1-Hydroxy-8-methoxy-3-methyl-7,12-dioxo-7,12-dihydro-2-tetraphenyl beta-D-glucopyranosiduronic acid | C26H22O11

1-Hydroxy-8-methoxy-3-methyl-7,12-dioxo-7,12-dihydro-2-tetraphenyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC26H22O11
  • Average mass510.446 Da
  • Monoisotopic mass510.116211 Da
  • ChemSpider ID28665661

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-Hydroxy-8-methoxy-3-methyl-7,12-dioxo-7,12-dihydro-2-tetraphenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
1-Hydroxy-8-methoxy-3-methyl-7,12-dioxo-7,12-dihydro-2-tetraphenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 1-hydroxy-8-méthoxy-3-méthyl-7,12-dioxo-7,12-dihydro-2-tétraphényle [French] [ACD/IUPAC Name]
Benz[a]anthracene-7,12-dione, 2-(β-D-glucopyranuronosyloxy)-1-hydroxy-8-methoxy-3-methyl- [ACD/Index Name]
Pseudonocardone C

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

Density: 1.6±0.1 g/cm3
Boiling Point: 875.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.3±3.0 kJ/mol
Flash Point: 300.1±27.8 °C
Index of Refraction: 1.735
Molar Refractivity: 125.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 1.05
ACD/LogD (pH 5.5): -1.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 90.7±3.0 dyne/cm
Molar Volume: 312.6±3.0 cm3

Click to predict properties on the Chemicalize site


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