ChemSpider 2D Image | juncenolide D | C31H40O15

juncenolide D

  • Molecular FormulaC31H40O15
  • Average mass652.640 Da
  • Monoisotopic mass652.236694 Da
  • ChemSpider ID8162347

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,3aS,4E,6Z,8S,8aS,9R,10R,11R,12R,12aS,13S,13aS)-13a-Hydroxy-5-(methoxymethyl)-1,8a-dimethyl-2-oxo-1,3a,8,8a,9,10,11,12a,13,13a-decahydro-2H-spiro[benzo[4,5]cyclodeca[1,2-b]furan-12,2'-oxirane]-8,9, 10,11,13-pentayl pentaacetate [ACD/IUPAC Name]
juncenolide D
Spiro[benzo[4,5]cyclodeca[1,2-b]furan-12(2H),2'-oxiran]-2-one, 8,9,10,11,13-pentakis(acetyloxy)-1,3a,8,8a,9,10,11,12a,13,13a-decahydro-13a-hydroxy-5-(methoxymethyl)-1,8a-dimethyl-, (1R,3aS,4E,6Z,8S,8a S,9R,10R,11R,12R,12aS,13S,13aS)- [ACD/Index 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: 672.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±6.0 kJ/mol
Flash Point: 205.5±25.0 °C
Index of Refraction: 1.553
Molar Refractivity: 153.0±0.4 cm3
#H bond acceptors: 15
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.62
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.83
ACD/KOC (pH 5.5): 90.93
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.83
ACD/KOC (pH 7.4): 90.92
Polar Surface Area: 200 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 478.3±5.0 cm3

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