ChemSpider 2D Image | Bupleurotoxin | C17H22O2

Bupleurotoxin

  • Molecular FormulaC17H22O2
  • Average mass258.355 Da
  • Monoisotopic mass258.161987 Da
  • ChemSpider ID24669839

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2Z,8E,10E,14S)-2,8,10-Heptadecatrien-4,6-diin-1,14-diol [German] [ACD/IUPAC Name]
(2Z,8E,10E,14S)-2,8,10-Heptadecatriene-4,6-diyne-1,14-diol [ACD/IUPAC Name]
(2Z,8E,10E,14S)-2,8,10-Heptadécatriène-4,6-diyne-1,14-diol [French] [ACD/IUPAC Name]
2,8,10-Heptadecatriene-4,6-diyne-1,14-diol, (2Z,8E,10E,14S)- [ACD/Index Name]
Bupleurotoxin
111128-27-9 [RN]
1424150-38-8 [RN]
UNII:47M62W36U4

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

Density: 1.0±0.1 g/cm3
Boiling Point: 458.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±6.0 kJ/mol
Flash Point: 213.8±23.3 °C
Index of Refraction: 1.548
Molar Refractivity: 80.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 649.91
ACD/KOC (pH 5.5): 3589.55
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 649.91
ACD/KOC (pH 7.4): 3589.55
Polar Surface Area: 40 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 252.0±3.0 cm3

Click to predict properties on the Chemicalize site


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