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Search term: 26633263 (Found by CSID)
ChemSpider 2D Image | asperaculin A | C15H20O5

asperaculin A

  • Molecular FormulaC15H20O5
  • Average mass280.316 Da
  • Monoisotopic mass280.131073 Da
  • ChemSpider ID26633263

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2aS,4aS,6aS,9aS)-2a-Hydroxy-5,5,6a-trimethyloctahydro-2H-1,8-dioxapentaleno[1,6-cd]inden-2,9(9aH)-dion [German] [ACD/IUPAC Name]
(2aS,4aS,6aS,9aS)-2a-Hydroxy-5,5,6a-trimethyloctahydro-2H-1,8-dioxapentaleno[1,6-cd]indene-2,9(9aH)-dione [ACD/IUPAC Name]
(2aS,4aS,6aS,9aS)-2a-Hydroxy-5,5,6a-triméthyloctahydro-2H-1,8-dioxapentaléno[1,6-cd]indène-2,9(9aH)-dione [French] [ACD/IUPAC Name]
2H-1,8-Dioxapentaleno[1,6-cd]indene-2,9(9aH)-dione, octahydro-2a-hydroxy-5,5,6a-trimethyl-, (2aS,4aS,6aS,9aS)- [ACD/Index Name]
asperaculin A
rel-(2aS,4aS,6aS,9aS)-2a-hydroxy-5,5,6a-trimethyloctahydro-2H-1,8-dioxapentaleno[1,6-cd]indene-2,9(9aH)-dione

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

Density: 1.4±0.1 g/cm3
Boiling Point: 453.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±6.0 kJ/mol
Flash Point: 170.4±20.8 °C
Index of Refraction: 1.575
Molar Refractivity: 68.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.31
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.34
ACD/KOC (pH 5.5): 63.98
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.34
ACD/KOC (pH 7.4): 63.98
Polar Surface Area: 73 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 207.6±5.0 cm3

Click to predict properties on the Chemicalize site


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