ChemSpider 2D Image | (5alpha,7beta,9alpha,10beta,13alpha)-7,9,10,13-Tetraacetoxytaxa-4(20),11-dien-5-yl (2E)-3-phenylacrylate | C37H46O10

(5α,7β,9α,10β,13α)-7,9,10,13-Tetraacetoxytaxa-4(20),11-dien-5-yl (2E)-3-phenylacrylate

  • Molecular FormulaC37H46O10
  • Average mass650.755 Da
  • Monoisotopic mass650.309082 Da
  • ChemSpider ID22914157

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2E)-3-Phénylacrylate de (5α,7β,9α,10β,13α)-7,9,10,13-tétraacétoxytaxa-4(20),11-dién-5-yle [French] [ACD/IUPAC Name]
(5α,7β,9α,10β,13α)-7,9,10,13-Tetraacetoxytaxa-4(20),11-dien-5-yl (2E)-3-phenylacrylate [ACD/IUPAC Name]
(5α,7β,9α,10β,13α)-7,9,10,13-Tetraacetoxytaxa-4(20),11-dien-5-yl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
(5α,7β,9α,10β,13α)-7,9,10,13-tetrakis(acetyloxy)taxa-4(20),11-dien-5-yl (2E)-3-phenylprop-2-enoate
2-Propenoic acid, 3-phenyl-, (1S,3S,4aR,6R,8S,11R,12R,12aS)-1,8,11,12-tetrakis(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-3-yl ester, (2E)- [ACD/Index Name]
2-propenoic acid, 3-phenyl-, (1S,3S,4aR,6R,8S,11R,12R,12aS)-1,8,11,12-tetrakis(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-3-yl ester, (2E)-
(E)-3-Phenyl-acrylic acid (1R,3R,5S,7S,8S,9R,10R,13S)-7,9,10,13-tetraacetoxy-8,12,15,15-tetramethyl-4-methylene-tricyclo[9.3.1.0*3,8*]pentadec-11-en-5-yl ester
[(1R,3R,5S,7S,8S,9R,10R,13S)-7,9,10,13-tetraacetyloxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate
119347-14-7 [RN]
2-Deacetoxytaxinine J
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 673.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 273.8±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 172.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 7.01
ACD/LogD (pH 5.5): 6.81
ACD/BCF (pH 5.5): 88513.80
ACD/KOC (pH 5.5): 120962.34
ACD/LogD (pH 7.4): 6.81
ACD/BCF (pH 7.4): 88513.80
ACD/KOC (pH 7.4): 120962.34
Polar Surface Area: 132 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 537.5±5.0 cm3

Click to predict properties on the Chemicalize site


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