ChemSpider 2D Image | truncateol T | C16H23ClO4

truncateol T

  • Molecular FormulaC16H23ClO4
  • Average mass314.804 Da
  • Monoisotopic mass314.128479 Da
  • ChemSpider ID35516907

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2R,3aS,4R,5R,7aS)-3a-Chlor-2-(2-hydroxy-2-propanyl)-6-(3-methyl-1,3-butadien-1-yliden)octahydro-1-benzofuran-4,5-diol [German] [ACD/IUPAC Name]
(2R,3aS,4R,5R,7aS)-3a-Chloro-2-(2-hydroxy-2-propanyl)-6-(3-methyl-1,3-butadien-1-ylidene)octahydro-1-benzofuran-4,5-diol [ACD/IUPAC Name]
(2R,3aS,4R,5R,7aS)-3a-Chloro-2-(2-hydroxy-2-propanyl)-6-(3-méthyl-1,3-butadién-1-ylidène)octahydro-1-benzofurane-4,5-diol [French] [ACD/IUPAC Name]
4,5-Benzofurandiol, 3a-chlorooctahydro-2-(1-hydroxy-1-methylethyl)-6-(3-methyl-1,3-butadien-1-ylidene)-, (2R,3aS,4R,5R,7aS)- [ACD/Index Name]
truncateol T

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

Density: 1.2±0.1 g/cm3
Boiling Point: 487.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.8±6.0 kJ/mol
Flash Point: 248.4±28.7 °C
Index of Refraction: 1.557
Molar Refractivity: 82.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 7.91
ACD/KOC (pH 5.5): 152.99
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 7.91
ACD/KOC (pH 7.4): 152.99
Polar Surface Area: 70 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 38.4±5.0 dyne/cm
Molar Volume: 256.0±5.0 cm3

Click to predict properties on the Chemicalize site


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