ChemSpider 2D Image | Taxine B | C28H38O10

Taxine B

  • Molecular FormulaC28H38O10
  • Average mass534.595 Da
  • Monoisotopic mass534.246521 Da
  • ChemSpider ID4479370

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,4S,5S,7S,8E,10S,11R,13S)-7-Hydroxy-4,14,15,15-tetramethyl-3-oxotricyclo[9.3.1.14,8]hexadeca-1(14),8-dien-2,5,10,13-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
(2R,4S,5S,7S,8E,10S,11R,13S)-7-Hydroxy-4,14,15,15-tetramethyl-3-oxotricyclo[9.3.1.14,8]hexadeca-1(14),8-diene-2,5,10,13-tetrayl tetraacetate [ACD/IUPAC Name]
168109-52-2 [RN]
CEB5005PDD
Taxine B
Tetraacétate de (2R,4S,5S,7S,8E,10S,11R,13S)-7-hydroxy-4,14,15,15-tétraméthyl-3-oxotricyclo[9.3.1.14,8]hexadéca-1(14),8-diène-2,5,10,13-tétrayle [French] [ACD/IUPAC Name]
Tricyclo[9.3.1.14,8]hexadeca-4,10-dien-2-one, 3,6,9,14-tetrakis(acetyloxy)-12-hydroxy-1,5,16,16-tetramethyl-, (1S,3R,6S,8R,9S,10E,12S,14S)- [ACD/Index Name]
[(1E,3S,4R,6S,9R,11S,12S,14S)-3,9,12-triacetyloxy-14-hydroxy-7,11,16,16-tetramethyl-10-oxo-6-tricyclo[9.3.1.14,8]hexadeca-1,7-dienyl] acetate
Taxin B
Taxine BII
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 608.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.7±6.0 kJ/mol
Flash Point: 191.0±25.0 °C
Index of Refraction: 1.539
Molar Refractivity: 133.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 99.77
ACD/KOC (pH 5.5): 938.61
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 99.77
ACD/KOC (pH 7.4): 938.61
Polar Surface Area: 143 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 426.7±5.0 cm3

Click to predict properties on the Chemicalize site


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