ChemSpider 2D Image | remisporine B | C30H24O12

remisporine B

  • Molecular FormulaC30H24O12
  • Average mass576.504 Da
  • Monoisotopic mass576.126770 Da
  • ChemSpider ID8523601

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5bR,7R,7aS,7bS,14bR)-4,7,13-Trihydroxy-2,11-diméthyl-5,14-dioxo-7,7a,7b,8,14,14b-hexahydro-6,9,15-trioxanaphto[2',3':2,3]pentaléno[1,6-ab]anthracène-5b,7(5H)-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl (5bR,7R,7aS,7bS,14bR)-4,7,13-trihydroxy-2,11-dimethyl-5,14-dioxo-7,7a,7b,8,14,14b-hexahydro-6,9,15-trioxanaphtho[2',3':2,3]pentaleno[1,6-ab]anthracene-5b,7(5H)-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(5bR,7R,7aS,7bS,14bR)-4,7,13-trihydroxy-2,11-dimethyl-5,14-dioxo-7,7a,7b,8,14,14b-hexahydro-6,9,15-trioxanaphtho[2',3':2,3]pentaleno[1,6-ab]anthracen-5b,7(5H)-dicarboxylat [German] [ACD/IUPAC Name]
remisporine B

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

Density: 1.7±0.1 g/cm3
Boiling Point: 793.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 264.6±26.4 °C
Index of Refraction: 1.730
Molar Refractivity: 137.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 3958.21
ACD/KOC (pH 5.5): 12929.39
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 600.54
ACD/KOC (pH 7.4): 1961.63
Polar Surface Area: 175 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 90.7±5.0 dyne/cm
Molar Volume: 343.7±5.0 cm3

Click to predict properties on the Chemicalize site


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