ChemSpider 2D Image | Fusicoccin J Aglycone | C21H34O4

Fusicoccin J Aglycone

  • Molecular FormulaC21H34O4
  • Average mass350.492 Da
  • Monoisotopic mass350.245697 Da
  • ChemSpider ID35035923

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,4R,5R,6R,6aS,9S,9aE,10aR)-3-Isopropyl-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-1,4,5-triol [German] [ACD/IUPAC Name]
(1S,4R,5R,6R,6aS,9S,9aE,10aR)-3-Isopropyl-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulene-1,4,5-triol [ACD/IUPAC Name]
(1S,4R,5R,6R,6aS,9S,9aE,10aR)-3-Isopropyl-9-(méthoxyméthyl)-6,10a-diméthyl-1,2,4,5,6,6a,7,8,9,10a-décahydrodicyclopenta[a,d][8]annulène-1,4,5-triol [French] [ACD/IUPAC Name]
Dicyclopenta[a,d]cyclooctene-1,4,5-triol, 1,2,4,5,6,6a,7,8,9,10a-decahydro-9-(methoxymethyl)-6,10a-dimethyl-3-(1-methylethyl)-, (1S,4R,5R,6R,6aS,9S,9aE,10aR)- [ACD/Index Name]
Fusicoccin J Aglycone
FJA
fusicoccin P aglycon

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 487.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.8±6.0 kJ/mol
Flash Point: 248.4±28.7 °C
Index of Refraction: 1.556
Molar Refractivity: 98.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 109.08
ACD/KOC (pH 5.5): 1000.54
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 109.08
ACD/KOC (pH 7.4): 1000.54
Polar Surface Area: 70 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 306.5±5.0 cm3

Click to predict properties on the Chemicalize site


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