ChemSpider 2D Image | (6R)-2,6-Anhydro-1-deoxy-6-(1-hydroxy-10,12-dimethoxy-8-methyl-6-oxo-6H-dibenzo[c,h]chromen-4-yl)-4-C-methyl-D-allitol | C27H28O9

(6R)-2,6-Anhydro-1-deoxy-6-(1-hydroxy-10,12-dimethoxy-8-methyl-6-oxo-6H-dibenzo[c,h]chromen-4-yl)-4-C-methyl-D-allitol

  • Molecular FormulaC27H28O9
  • Average mass496.506 Da
  • Monoisotopic mass496.173340 Da
  • ChemSpider ID62405842

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6R)-2,6-Anhydro-1-deoxy-6-(1-hydroxy-10,12-dimethoxy-8-methyl-6-oxo-6H-dibenzo[c,h]chromen-4-yl)-4-C-methyl-D-allitol [ACD/IUPAC Name]
(6R)-2,6-Anhydro-1-desoxy-6-(1-hydroxy-10,12-dimethoxy-8-methyl-6-oxo-6H-dibenzo[c,h]chromen-4-yl)-4-C-methyl-D-allitol [German] [ACD/IUPAC Name]
(6R)-2,6-Anhydro-1-désoxy-6-(1-hydroxy-10,12-diméthoxy-8-méthyl-6-oxo-6H-dibenzo[c,h]chromén-4-yl)-4-C-méthyl-D-allitol [French] [ACD/IUPAC Name]
D-Allitol, 2,6-anhydro-1-deoxy-6-C-(1-hydroxy-10,12-dimethoxy-8-methyl-6-oxo-6H-benzo[d]naphtho[1,2-b]pyran-4-yl)-4-C-methyl-, (6R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 784.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 265.9±26.4 °C
Index of Refraction: 1.663
Molar Refractivity: 130.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 963.46
ACD/KOC (pH 5.5): 4756.87
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 901.82
ACD/KOC (pH 7.4): 4452.51
Polar Surface Area: 135 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 352.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement