ChemSpider 2D Image | (2alpha,5alpha,7beta,9alpha,10beta,13alpha)-Taxa-4(20),11-diene-2,5,7,9,10,13-hexayl hexaacetate | C32H44O12

(2α,5α,7β,9α,10β,13α)-Taxa-4(20),11-diene-2,5,7,9,10,13-hexayl hexaacetate

  • Molecular FormulaC32H44O12
  • Average mass620.685 Da
  • Monoisotopic mass620.283264 Da
  • ChemSpider ID23254261

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2α,5α,7β,9α,10β,13α)-Taxa-4(20),11-dien-2,5,7,9,10,13-hexayl-hexaacetat [German] [ACD/IUPAC Name]
(2α,5α,7β,9α,10β,13α)-Taxa-4(20),11-diene-2,5,7,9,10,13-hexayl hexaacetate [ACD/IUPAC Name]
6,10-Methanobenzocyclodecene-1,3,5,8,11,12-hexol, 1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-, hexaacetate, (1S,3S,4aR,5R,6R,8S,11R,12R,12aS)- [ACD/Index Name]
Hexaacétate de (2α,5α,7β,9α,10β,13α)-taxa-4(20),11-diène-2,5,7,9,10,13-hexayle [French] [ACD/IUPAC Name]
taxa-4(20),11-diene, 2α,5α,7β,9α,10β,13α-hexa-acetoxy-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 617.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 253.1±31.5 °C
Index of Refraction: 1.522
Molar Refractivity: 154.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2314.76
ACD/KOC (pH 5.5): 8910.66
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2314.76
ACD/KOC (pH 7.4): 8910.66
Polar Surface Area: 158 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 505.4±5.0 cm3

Click to predict properties on the Chemicalize site


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