ChemSpider 2D Image | 2alpha,5alpha,10beta-Triacetoxy-14beta-propionyloxytaxa-4(20),11-diene | C29H42O8

2α,5α,10β-Triacetoxy-14β-propionyloxytaxa-4(20),11-diene

  • Molecular FormulaC29H42O8
  • Average mass518.639 Da
  • Monoisotopic mass518.287964 Da
  • ChemSpider ID4479601

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2α,5α,10β,14β)-2,5,10-Triacetoxytaxa-4(20),11-dien-14-yl propionate [ACD/IUPAC Name]
(2α,5α,10β,14β)-2,5,10-Triacetoxytaxa-4(20),11-dien-14-ylpropionat [German] [ACD/IUPAC Name]
(2α,5α,10β,14β)-2,5,10-tris(acetyloxy)taxa-4(20),11-dien-14-yl propanoate
2α,5α,10β-Triacetoxy-14β-propionyloxytaxa-4(20),11-diene
6,10-Methanobenzocyclodecene-3,5,7,11-tetrol, 1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-, 3,5,11-triacetate 7-propanoate, (3S,4aS,5S,6S,7S,11S,12aS)- [ACD/Index Name]
Propionate de (2α,5α,10β,14β)-2,5,10-triacétoxytaxa-4(20),11-dién-14-yle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL391546/
propionic acid (1S,2S,3S,5S,8S,10S,14S)-2,5,10-triacetoxy-8,12,15,15-tetramethyl-4-methylene-tricyclo[9.3.1.0*3,8*]pentadec-11-en-14-yl ester
taxa-4(20),11-diene, 2α,5α,10β-triacetoxy-14β-propionyloxy-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 548.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 228.3±30.2 °C
Index of Refraction: 1.518
Molar Refractivity: 136.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9678.21
ACD/KOC (pH 5.5): 24809.72
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9678.21
ACD/KOC (pH 7.4): 24809.72
Polar Surface Area: 105 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 450.7±5.0 cm3

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