ChemSpider 2D Image | (6alpha,7beta)-7-Methoxyabieta-8,11,13-triene-6,11,12-triol | C21H32O4

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

  • Molecular FormulaC21H32O4
  • Average mass348.476 Da
  • Monoisotopic mass348.230072 Da
  • ChemSpider ID23295928

  • 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-6,11,12-triol [German] [ACD/IUPAC Name]
(6α,7β)-7-Methoxyabieta-8,11,13-triene-6,11,12-triol [ACD/IUPAC Name]
(6α,7β)-7-Méthoxyabiéta-8,11,13-triène-6,11,12-triol [French] [ACD/IUPAC Name]
3,4,9-Phenanthrenetriol, 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]
(4bS,8aS,9R,10R)-2-isopropyl-10-methoxy-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-3,4,9-triol
TAXODISTINE 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: 479.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 243.8±28.7 °C
Index of Refraction: 1.575
Molar Refractivity: 98.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2513.53
ACD/KOC (pH 5.5): 9451.74
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2501.87
ACD/KOC (pH 7.4): 9407.91
Polar Surface Area: 70 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 297.7±5.0 cm3

Click to predict properties on the Chemicalize site


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