ChemSpider 2D Image | Rubioncolin B | C31H24O10

Rubioncolin B

  • Molecular FormulaC31H24O10
  • Average mass556.516 Da
  • Monoisotopic mass556.136963 Da
  • ChemSpider ID10283358
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

Rubioncolin B
(6bS,13bR,16aS)-5,12-Dihydroxy-16,16-diméthyl-14-oxo-13b,14-dihydro-6bH-benzo[h]furo[3,4-c]naphto[2',1':4,5]furo[3,2-b]chromène-6,13-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
6bH,16H-Furo[3,4-c]naphtho[2,1-e]naphtho[2',1':4,5]furo[3,2-b]pyran-6,13-dicarboxylic acid, 13b,14-dihydro-5,12-dihydroxy-16,16-dimethyl-14-oxo-, dimethyl ester, (6bS,13bR,16aS)- [ACD/Index Name]
Dimethyl (6bS,13bR,16aS)-5,12-dihydroxy-16,16-dimethyl-14-oxo-13b,14-dihydro-6bH-benzo[h]furo[3,4-c]naphtho[2',1':4,5]furo[3,2-b]chromene-6,13-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(6bS,13bR,16aS)-5,12-dihydroxy-16,16-dimethyl-14-oxo-13b,14-dihydro-6bH-benzo[h]furo[3,4-c]naphtho[2',1':4,5]furo[3,2-b]chromen-6,13-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 753.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 250.4±26.4 °C
Index of Refraction: 1.747
Molar Refractivity: 143.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 5.23
ACD/BCF (pH 5.5): 5561.59
ACD/KOC (pH 5.5): 16655.83
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3525.00
ACD/KOC (pH 7.4): 10556.65
Polar Surface Area: 138 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 83.7±5.0 dyne/cm
Molar Volume: 353.3±5.0 cm3

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