ChemSpider 2D Image | (1aS,2aR,3S,5R,6S,7aR)-3-Acetoxy-5-hydroxy-5-isopropyl-2a,7a-dimethyldecahydroazuleno[5,6-b]oxiren-6-yl 4-hydroxybenzoate | C24H32O7

(1aS,2aR,3S,5R,6S,7aR)-3-Acetoxy-5-hydroxy-5-isopropyl-2a,7a-dimethyldecahydroazuleno[5,6-b]oxiren-6-yl 4-hydroxybenzoate

  • Molecular FormulaC24H32O7
  • Average mass432.507 Da
  • Monoisotopic mass432.214813 Da
  • ChemSpider ID22943435

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1aS,2aR,3S,5R,6S,7aR)-3-Acetoxy-5-hydroxy-5-isopropyl-2a,7a-dimethyldecahydroazuleno[5,6-b]oxiren-6-yl 4-hydroxybenzoate [ACD/IUPAC Name]
(1aS,2aR,3S,5R,6S,7aR)-3-Acetoxy-5-hydroxy-5-isopropyl-2a,7a-dimethyldecahydroazuleno[5,6-b]oxiren-6-yl-4-hydroxybenzoat [German] [ACD/IUPAC Name]
4-Hydroxybenzoate de (1aS,2aR,3S,5R,6S,7aR)-3-acétoxy-5-hydroxy-5-isopropyl-2a,7a-diméthyldécahydroazuléno[5,6-b]oxirén-6-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, (1aS,2aR,3S,5R,6S,7aR)-3-(acetyloxy)decahydro-5-hydroxy-2a,7a-dimethyl-5-(1-methylethyl)azuleno[5,6-b]oxiren-6-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 542.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 179.3±23.6 °C
Index of Refraction: 1.579
Molar Refractivity: 112.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 166.60
ACD/KOC (pH 5.5): 1353.88
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 139.82
ACD/KOC (pH 7.4): 1136.21
Polar Surface Area: 106 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 338.2±5.0 cm3

Click to predict properties on the Chemicalize site


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