ChemSpider 2D Image | (3S,3aR,3bS,4S,12aR)-3,4,7,8,17,18-Hexahydroxy-10,15-dimethyl-3a,3b,4,5-tetrahydro-2H-dibenzo[c,mn]naphtho[2,3-g]xanthene-1,6,13(3H)-trione | C30H24O10

(3S,3aR,3bS,4S,12aR)-3,4,7,8,17,18-Hexahydroxy-10,15-dimethyl-3a,3b,4,5-tetrahydro-2H-dibenzo[c,mn]naphtho[2,3-g]xanthene-1,6,13(3H)-trione

  • Molecular FormulaC30H24O10
  • Average mass544.506 Da
  • Monoisotopic mass544.136963 Da
  • ChemSpider ID26397587

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S,3aR,3bS,4S,12aR)-3,4,7,8,17,18-Hexahydroxy-10,15-dimethyl-3a,3b,4,5-tetrahydro-2H-dibenzo[c,mn]naphtho[2,3-g]xanthen-1,6,13(3H)-trion [German] [ACD/IUPAC Name]
(3S,3aR,3bS,4S,12aR)-3,4,7,8,17,18-Hexahydroxy-10,15-dimethyl-3a,3b,4,5-tetrahydro-2H-dibenzo[c,mn]naphtho[2,3-g]xanthene-1,6,13(3H)-trione [ACD/IUPAC Name]
(3S,3aR,3bS,4S,12aR)-3,4,7,8,17,18-Hexahydroxy-10,15-diméthyl-3a,3b,4,5-tétrahydro-2H-dibenzo[c,mn]naphto[2,3-g]xanthène-1,6,13(3H)-trione [French] [ACD/IUPAC Name]
2H-Dibenzo[c,mn]naphtho[2,3-g]xanthene-1,6,13(3H)-trione, 3a,3b,4,5-tetrahydro-3,4,7,8,17,18-hexahydroxy-10,15-dimethyl-, (3S,3aR,3bS,4S,12aR)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 864.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.6±3.0 kJ/mol
Flash Point: 291.5±27.8 °C
Index of Refraction: 1.838
Molar Refractivity: 136.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 4
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 20.58
ACD/KOC (pH 5.5): 80.66
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 118.7±5.0 dyne/cm
Molar Volume: 308.2±5.0 cm3

Click to predict properties on the Chemicalize site


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