ChemSpider 2D Image | Decinnamoyltaxinin E | C28H40O9

Decinnamoyltaxinin E

  • Molecular FormulaC28H40O9
  • Average mass520.612 Da
  • Monoisotopic mass520.267212 Da
  • ChemSpider ID8753275

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2α,5α,9α,10β,13α)-5-Hydroxytaxa-4(20),11-dien-2,9,10,13-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
(2α,5α,9α,10β,13α)-5-Hydroxytaxa-4(20),11-diene-2,9,10,13-tetrayl tetraacetate [ACD/IUPAC Name]
6,10-Methanobenzocyclodecene-3,5,8,11,12-pentol, 1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-, 5,8,11,12-tetraacetate, (3S,4aR,5R,6R,8S,11R,12R,12aR)- [ACD/Index Name]
Decinnamoyltaxinin E
Tetraacétate de (2α,5α,9α,10β,13α)-5-hydroxytaxa-4(20),11-diène-2,9,10,13-tétrayle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 570.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.2±6.0 kJ/mol
Flash Point: 176.0±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: 3.88
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 698.58
ACD/KOC (pH 5.5): 3779.98
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 698.58
ACD/KOC (pH 7.4): 3779.98
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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