ChemSpider 2D Image | (2alpha,5alpha,9alpha,10beta,14beta)-9-Hydroxytaxa-4(20),11-diene-2,5,10,14-tetrayl tetraacetate | C28H40O9

(2α,5α,9α,10β,14β)-9-Hydroxytaxa-4(20),11-diene-2,5,10,14-tetrayl tetraacetate

  • Molecular FormulaC28H40O9
  • Average mass520.612 Da
  • Monoisotopic mass520.267212 Da
  • ChemSpider ID9458800

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2α,5α,9α,10β,14β)-9-Hydroxytaxa-4(20),11-dien-2,5,10,14-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
(2α,5α,9α,10β,14β)-9-Hydroxytaxa-4(20),11-diene-2,5,10,14-tetrayl tetraacetate [ACD/IUPAC Name]
6,10-Methanobenzocyclodecene-3,5,7,11,12-pentol, 1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-, 3,5,7,11-tetraacetate, (3S,4aR,5S,6S,7S,11R,12R,12aR)- [ACD/Index Name]
Tetraacétate de (2α,5α,9α,10β,14β)-9-hydroxytaxa-4(20),11-diène-2,5,10,14-tétrayle [French] [ACD/IUPAC Name]
acetic acid (1S,2S,3R,5S,8R,9R,10R,14S)-2,10,14-triacetoxy-9-hydroxy-8,12,15,15-tetramethyl-4-methylene-tricyclo[9.3.1.0*3,8*]pentadec-11-en-5-yl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL392389/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 563.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.2±6.0 kJ/mol
Flash Point: 173.2±23.6 °C
Index of Refraction: 1.529
Molar Refractivity: 133.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 521.56
ACD/KOC (pH 5.5): 3066.56
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 521.56
ACD/KOC (pH 7.4): 3066.55
Polar Surface Area: 125 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 432.5±5.0 cm3

Click to predict properties on the Chemicalize site


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