ChemSpider 2D Image | (5alpha,7beta,9alpha,10beta,13alpha)-Taxa-4(20),11-diene-5,7,9,10,13-pentayl pentaacetate | C30H42O10

(5α,7β,9α,10β,13α)-Taxa-4(20),11-diene-5,7,9,10,13-pentayl pentaacetate

  • Molecular FormulaC30H42O10
  • Average mass562.648 Da
  • Monoisotopic mass562.277771 Da
  • ChemSpider ID10002500

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5α,7β,9α,10β,13α)-Taxa-4(20),11-dien-5,7,9,10,13-pentayl-pentaacetat [German] [ACD/IUPAC Name]
(5α,7β,9α,10β,13α)-Taxa-4(20),11-diene-5,7,9,10,13-pentayl pentaacetate [ACD/IUPAC Name]
6,10-Methanobenzocyclodecene-1,3,8,11,12-pentol, 1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-, pentaacetate, (1S,3S,4aR,6R,8S,11R,12R,12aS)- [ACD/Index Name]
Pentaacétate de (5α,7β,9α,10β,13α)-taxa-4(20),11-diène-5,7,9,10,13-pentayle [French] [ACD/IUPAC Name]
Acetic acid 5,7,10,13-tetraacetoxy-8,12,15,15-tetramethyl-4-methylene-tricyclo[9.3.1.0*3,8*]pentadec-11-en-9-yl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL311146/
taxa-4(20),11-diene, 5α,7β,9α,10β,13α-penta-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: 578.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 239.4±30.2 °C
Index of Refraction: 1.520
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3735.29
ACD/KOC (pH 5.5): 12550.59
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3735.29
ACD/KOC (pH 7.4): 12550.59
Polar Surface Area: 132 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 470.1±5.0 cm3

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