ChemSpider 2D Image | (1R,2S,3E,5S,7S,10R,13S)-2,7,9,13-Tetraacetoxy-4-(acetoxymethyl)-10-hydroxy-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-5-yl (2E)-3-phenylacrylate | C39H48O13

(1R,2S,3E,5S,7S,10R,13S)-2,7,9,13-Tetraacetoxy-4-(acetoxymethyl)-10-hydroxy-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-5-yl (2E)-3-phenylacrylate

  • Molecular FormulaC39H48O13
  • Average mass724.791 Da
  • Monoisotopic mass724.309509 Da
  • ChemSpider ID23338861
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(1R,2S,3E,5S,7S,10R,13S)-2,7,9,13-Tetraacetoxy-4-(acetoxymethyl)-10-hydroxy-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-5-yl (2E)-3-phenylacrylate [ACD/IUPAC Name]
(1R,2S,3E,5S,7S,10R,13S)-2,7,9,13-Tetraacetoxy-4-(acetoxymethyl)-10-hydroxy-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-5-yl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
(2E)-3-Phénylacrylate de (1R,2S,3E,5S,7S,10R,13S)-2,7,9,13-tétraacétoxy-4-(acétoxyméthyl)-10-hydroxy-8,12,15,15-tétraméthylbicyclo[9.3.1]pentadéca-3,8,11-trién-5-yle [French] [ACD/IUPAC Name]
(1R,2S,3E,5S,7S,10R,13S)-2,7,9,13-tetrakis(acetyloxy)-4-[(acetyloxy)methyl]-10-hydroxy-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-5-yl (2E)-3-phenylprop-2-enoate
2-propenoic acid, 3-phenyl-, (1R,2S,3E,5S,7S,10R,13S)-2,7,9,13-tetrakis(acetyloxy)-4-[(acetyloxy)methyl]-10-hydroxy-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-5-yl ester, (2E)- [ACD/Index Name]
taxuspine X

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

Density: 1.3±0.1 g/cm3
Boiling Point: 773.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.0±3.0 kJ/mol
Flash Point: 227.8±26.4 °C
Index of Refraction: 1.559
Molar Refractivity: 186.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 25637.91
ACD/KOC (pH 5.5): 49826.80
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 25637.74
ACD/KOC (pH 7.4): 49826.48
Polar Surface Area: 178 Å2
Polarizability: 73.9±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 578.1±5.0 cm3

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