ChemSpider 2D Image | (2alpha)-14-Hydroxy-7-oxoabieta-5,8,11,13-tetraene-2,6,11,12,16,17-hexayl hexaacetate | C32H38O14

(2α)-14-Hydroxy-7-oxoabieta-5,8,11,13-tetraene-2,6,11,12,16,17-hexayl hexaacetate

  • Molecular FormulaC32H38O14
  • Average mass646.636 Da
  • Monoisotopic mass646.226135 Da
  • ChemSpider ID9040471

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2α)-14-Hydroxy-7-oxoabieta-5,8,11,13-tetraen-2,6,11,12,16,17-hexayl-hexaacetat [German] [ACD/IUPAC Name]
(2α)-14-Hydroxy-7-oxoabieta-5,8,11,13-tetraene-2,6,11,12,16,17-hexayl hexaacetate [ACD/IUPAC Name]
9(1H)-Phenanthrenone, 3,5,6,10-tetrakis(acetyloxy)-7-[2-(acetyloxy)-1-[(acetyloxy)methyl]ethyl]-2,3,4,4a-tetrahydro-8-hydroxy-1,1,4a-trimethyl-, (3S,4aR)- [ACD/Index Name]
Hexaacétate de (2α)-14-hydroxy-7-oxoabiéta-5,8,11,13-tétraène-2,6,11,12,16,17-hexayle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 750.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 233.2±26.4 °C
Index of Refraction: 1.562
Molar Refractivity: 155.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 386.95
ACD/KOC (pH 5.5): 2177.71
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 13.50
ACD/KOC (pH 7.4): 76.00
Polar Surface Area: 195 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 478.9±5.0 cm3

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