ChemSpider 2D Image | junceellonoid C | C24H31ClO10

junceellonoid C

  • Molecular FormulaC24H31ClO10
  • Average mass514.950 Da
  • Monoisotopic mass514.160583 Da
  • ChemSpider ID10480880

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,2S,3S,4R,7S,8S,9R,10S,11R,13S,14R,17R)-13-Chloro-9,10-dihydroxy-8,17-dimethyl-12-methylene-16-oxospiro[15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecane-4,2'-oxirane]-2,7-diyl diacetate [ACD/IUPAC Name]
junceellonoid C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 674.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.3±6.0 kJ/mol
Flash Point: 361.5±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 119.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 4.01
ACD/KOC (pH 5.5): 94.10
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 4.01
ACD/KOC (pH 7.4): 94.10
Polar Surface Area: 141 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 356.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement