ChemSpider 2D Image | (2alpha,10beta)-10,20-Diacetoxy-1,4-dihydroxy-7,9,13-trioxotaxa-5,11-dien-2-yl benzoate | C31H34O11

(2α,10β)-10,20-Diacetoxy-1,4-dihydroxy-7,9,13-trioxotaxa-5,11-dien-2-yl benzoate

  • Molecular FormulaC31H34O11
  • Average mass582.595 Da
  • Monoisotopic mass582.210083 Da
  • ChemSpider ID9909288

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2α,10β)-10,20-Diacetoxy-1,4-dihydroxy-7,9,13-trioxotaxa-5,11-dien-2-yl benzoate [ACD/IUPAC Name]
(2α,10β)-10,20-Diacetoxy-1,4-dihydroxy-7,9,13-trioxotaxa-5,11-dien-2-yl-benzoat [German] [ACD/IUPAC Name]
6,10-Methanobenzocyclodecene-1,8,12(4H,5H,11H)-trione, 11-(acetyloxy)-4-[(acetyloxy)methyl]-5-(benzoyloxy)-4a,6,7,12a-tetrahydro-4,6-dihydroxy-9,12a,13,13-tetramethyl-, (4S,4aR,5S,6S,11R,12aS)- [ACD/Index Name]
Benzoate de (2α,10β)-10,20-diacétoxy-1,4-dihydroxy-7,9,13-trioxotaxa-5,11-dién-2-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 731.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 233.8±26.4 °C
Index of Refraction: 1.599
Molar Refractivity: 144.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 303.36
ACD/KOC (pH 5.5): 2080.62
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 303.32
ACD/KOC (pH 7.4): 2080.32
Polar Surface Area: 171 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 423.8±5.0 cm3

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