ChemSpider 2D Image | Taxine B | C33H45NO8

Taxine B

  • Molecular FormulaC33H45NO8
  • Average mass583.712 Da
  • Monoisotopic mass583.314514 Da
  • ChemSpider ID8113891

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2α,5α,9α,10β)-10-Acetoxy-1,2,9-trihydroxy-13-oxotaxa-4(20),11-dien-5-yl (3R)-3-(dimethylamino)-3-phenylpropanoate [ACD/IUPAC Name]
(2α,5α,9α,10β)-10-Acetoxy-1,2,9-trihydroxy-13-oxotaxa-4(20),11-dien-5-yl-(3R)-3-(dimethylamino)-3-phenylpropanoat [German] [ACD/IUPAC Name]
(3R)-3-(Diméthylamino)-3-phénylpropanoate de (2α,5α,9α,10β)-10-acétoxy-1,2,9-trihydroxy-13-oxotaxa-4(20),11-dién-5-yle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-(dimethylamino)-, (3S,4aR,5S,6S,11R,12R,12aR)-11-(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-5,6,12-trihydroxy-9,12a,13,13-tetramethyl-4-methylene-8-oxo-6,10-metha nobenzocyclodecen-3-yl ester, (βR)- [ACD/Index Name]
Taxine B
(2α,5α,9α,10β)-10-(acetyloxy)-1,2,9-trihydroxy-13-oxotaxa-4(20),11-dien-5-yl (3R)-3-(dimethylamino)-3-phenylpropanoate
1361-51-9 [RN]
Taxin B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 676.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 363.2±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 156.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 2.31
ACD/KOC (pH 5.5): 14.92
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 112.48
ACD/KOC (pH 7.4): 727.64
Polar Surface Area: 134 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 466.4±5.0 cm3

Click to predict properties on the Chemicalize site


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