Found 51 results

Search term: MF = 'C_{31}H_{40}O_{10}'
ChemSpider 2D Image | (2alpha,5beta,7beta,9alpha,10beta,13alpha)-4,13-Diacetoxy-7,9,10-trihydroxy-5,20-epoxytax-11-en-2-yl benzoate | C31H40O10

(2α,5β,7β,9α,10β,13α)-4,13-Diacetoxy-7,9,10-trihydroxy-5,20-epoxytax-11-en-2-yl benzoate

  • Molecular FormulaC31H40O10
  • Average mass572.643 Da
  • Monoisotopic mass572.262146 Da
  • ChemSpider ID8802270

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2α,5β,7β,9α,10β,13α)-4,13-Diacetoxy-7,9,10-trihydroxy-5,20-epoxytax-11-en-2-yl benzoate [ACD/IUPAC Name]
(2α,5β,7β,9α,10β,13α)-4,13-Diacetoxy-7,9,10-trihydroxy-5,20-epoxytax-11-en-2-yl-benzoat [German] [ACD/IUPAC Name]
7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,12,12b(4H)-hexol, 2a,3,4a,5,6,9,10,11,12,12a-decahydro-4a,8,13,13-tetramethyl-, 9,12b-diacetate 12-benzoate, (2aR,4S,4aS,5R,6R,9S,11R,12R,12aR,12 bS)- [ACD/Index Name]
Benzoate de (2α,5β,7β,9α,10β,13α)-4,13-diacétoxy-7,9,10-trihydroxy-5,20-époxytax-11-én-2-yle [French] [ACD/IUPAC 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: 670.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 211.0±25.0 °C
Index of Refraction: 1.597
Molar Refractivity: 145.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.74
ACD/KOC (pH 5.5): 828.01
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.74
ACD/KOC (pH 7.4): 828.01
Polar Surface Area: 149 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 427.2±5.0 cm3

Click to predict properties on the Chemicalize site


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