ChemSpider 2D Image | sinubrasolide A | C28H38O4

sinubrasolide A

  • Molecular FormulaC28H38O4
  • Average mass438.599 Da
  • Monoisotopic mass438.277008 Da
  • ChemSpider ID30771186
  • defined stereocentres - 12 of 12 defined stereocentres


More details:



Featured data source



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

(22R,23S,24R,25S)-24-Methyl-23,26-epoxyfurosta-1,4-dien-3,26-dion [German] [ACD/IUPAC Name]
(22R,23S,24R,25S)-24-Methyl-23,26-epoxyfurosta-1,4-dien-3,26-dione [ACD/IUPAC Name]
(22R,23S,24R,25S)-24-Méthyl-23,26-époxyfurosta-1,4-dién-3,26-dione [French] [ACD/IUPAC Name]
Furosta-1,4-dien-3,26-dione, 23,26-epoxy-24-methyl-, (22α,23S,24R,25S)- [ACD/Index Name]
sinubrasolide A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 588.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 251.3±30.2 °C
Index of Refraction: 1.570
Molar Refractivity: 122.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 1556.26
ACD/KOC (pH 5.5): 6706.41
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1556.26
ACD/KOC (pH 7.4): 6706.41
Polar Surface Area: 53 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 373.5±5.0 cm3

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