ChemSpider 2D Image | (6alpha,7beta)-7-Methoxyabieta-8,11,13-triene-6,12-diol | C21H32O3

(6α,7β)-7-Methoxyabieta-8,11,13-triene-6,12-diol

  • Molecular FormulaC21H32O3
  • Average mass332.477 Da
  • Monoisotopic mass332.235138 Da
  • ChemSpider ID23295929

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6α,7β)-7-Methoxyabieta-8,11,13-trien-6,12-diol [German] [ACD/IUPAC Name]
(6α,7β)-7-Methoxyabieta-8,11,13-triene-6,12-diol [ACD/IUPAC Name]
(6α,7β)-7-Méthoxyabiéta-8,11,13-triène-6,12-diol [French] [ACD/IUPAC Name]
3,9-Phenanthrenediol, 4b,5,6,7,8,8a,9,10-octahydro-10-methoxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS,8aS,9R,10R)- [ACD/Index Name]
taxodistine B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 452.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 227.4±28.7 °C
Index of Refraction: 1.557
Molar Refractivity: 96.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7361.30
ACD/KOC (pH 5.5): 20396.52
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7356.90
ACD/KOC (pH 7.4): 20384.34
Polar Surface Area: 50 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 300.8±5.0 cm3

Click to predict properties on the Chemicalize site


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