ChemSpider 2D Image | (1R,6S,9R,13R,14S,17R,19S)-14-Hydroxy-6,13,19-trimethyl-11-methylene-9-propyl-8,20-dioxabicyclo[15.2.1]icosane-7,15-dione | C25H42O5

(1R,6S,9R,13R,14S,17R,19S)-14-Hydroxy-6,13,19-trimethyl-11-methylene-9-propyl-8,20-dioxabicyclo[15.2.1]icosane-7,15-dione

  • Molecular FormulaC25H42O5
  • Average mass422.598 Da
  • Monoisotopic mass422.303223 Da
  • ChemSpider ID28286301

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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(1R,6S,9R,13R,14S,17R,19S)-14-Hydroxy-6,13,19-trimethyl-11-methylen-9-propyl-8,20-dioxabicyclo[15.2.1]icosan-7,15-dion [German] [ACD/IUPAC Name]
(1R,6S,9R,13R,14S,17R,19S)-14-Hydroxy-6,13,19-trimethyl-11-methylene-9-propyl-8,20-dioxabicyclo[15.2.1]icosane-7,15-dione [ACD/IUPAC Name]
(1R,6S,9R,13R,14S,17R,19S)-14-Hydroxy-6,13,19-triméthyl-11-méthylène-9-propyl-8,20-dioxabicyclo[15.2.1]icosane-7,15-dione [French] [ACD/IUPAC Name]
8,20-Dioxabicyclo[15.2.1]eicosane-7,15-dione, 14-hydroxy-6,13,19-trimethyl-11-methylene-9-propyl-, (1R,6S,9R,13R,14S,17R,19S)- [ACD/Index Name]
amphidinolide T1

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

Density: 1.0±0.1 g/cm3
Boiling Point: 578.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.4±6.0 kJ/mol
Flash Point: 187.1±23.6 °C
Index of Refraction: 1.498
Molar Refractivity: 118.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1897.50
ACD/KOC (pH 5.5): 7728.93
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1897.49
ACD/KOC (pH 7.4): 7728.90
Polar Surface Area: 73 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 403.6±5.0 cm3

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