ChemSpider 2D Image | (2alpha,5alpha,7beta,9alpha,10beta)-2,9,10,13-Tetraacetoxy-7,11-dihydroxytaxa-4(20),12-dien-5-yl (2E)-3-phenylacrylate | C37H46O12

(2α,5α,7β,9α,10β)-2,9,10,13-Tetraacetoxy-7,11-dihydroxytaxa-4(20),12-dien-5-yl (2E)-3-phenylacrylate

  • Molecular FormulaC37H46O12
  • Average mass682.754 Da
  • Monoisotopic mass682.298950 Da
  • ChemSpider ID9236579

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2E)-3-Phénylacrylate de (2α,5α,7β,9α,10β)-2,9,10,13-tétraacétoxy-7,11-dihydroxytaxa-4(20),12-dién-5-yle [French] [ACD/IUPAC Name]
(2α,5α,7β,9α,10β)-2,9,10,13-Tetraacetoxy-7,11-dihydroxytaxa-4(20),12-dien-5-yl (2E)-3-phenylacrylate [ACD/IUPAC Name]
(2α,5α,7β,9α,10β)-2,9,10,13-Tetraacetoxy-7,11-dihydroxytaxa-4(20),12-dien-5-yl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, (1S,3S,4aR,5R,6R,10S,11S,12R,12aS)-5,8,11,12-tetrakis(acetyloxy)-1,2,3,4,4a,5,6,7,10,11,12,12a-dodecahydro-1,10-dihydroxy-9,12a,13,13-tetramethyl-4-methylene-6,10-methanob enzocyclodecen-3-yl ester, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 726.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 216.7±26.4 °C
Index of Refraction: 1.573
Molar Refractivity: 175.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3920.61
ACD/KOC (pH 5.5): 12993.21
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3920.56
ACD/KOC (pH 7.4): 12993.04
Polar Surface Area: 172 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 532.2±5.0 cm3

Click to predict properties on the Chemicalize site


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