ChemSpider 2D Image | (2S,4S,5R,6S,14S,15S,17S,19S)-5-Fluoro-4-hydroxy-2,6-dimethyl-19-propyl-18,20,22-trioxahexacyclo[15.3.3.0~1,17~.0~2,15~.0~5,14~.0~6,11~]tricosa-7,10-diene-9,21-dione | C25H31FO6

(2S,4S,5R,6S,14S,15S,17S,19S)-5-Fluoro-4-hydroxy-2,6-dimethyl-19-propyl-18,20,22-trioxahexacyclo[15.3.3.01,17.02,15.05,14.06,11]tricosa-7,10-diene-9,21-dione

  • Molecular FormulaC25H31FO6
  • Average mass446.508 Da
  • Monoisotopic mass446.210480 Da
  • ChemSpider ID30653694

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(2S,4S,5R,6S,14S,15S,17S,19S)-5-Fluor-4-hydroxy-2,6-dimethyl-19-propyl-18,20,22-trioxahexacyclo[15.3.3.01,17.02,15.05,14.06,11]tricosa-7,10-dien-9,21-dion [German] [ACD/IUPAC Name]
(2S,4S,5R,6S,14S,15S,17S,19S)-5-Fluoro-4-hydroxy-2,6-dimethyl-19-propyl-18,20,22-trioxahexacyclo[15.3.3.01,17.02,15.05,14.06,11]tricosa-7,10-diene-9,21-dione [ACD/IUPAC Name]
(2S,4S,5R,6S,14S,15S,17S,19S)-5-Fluoro-4-hydroxy-2,6-diméthyl-19-propyl-18,20,22-trioxahexacyclo[15.3.3.01,17.02,15.05,14.06,11]tricosa-7,10-diène-9,21-dione [French] [ACD/IUPAC Name]
6b,9a-(Methanooxymethano)-5H-naphth[2',1':4,5]indeno[1,2-d][1,3]dioxole-2,15(10H)-dione, 4b-fluoro-4a,4b,6,6a,10a,10b,11,12-octahydro-5-hydroxy-4a,6a-dimethyl-8-propyl-, (4aS,4bR,5S,6aS,8S,9aS,10aS,10 bS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 616.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.9±6.0 kJ/mol
Flash Point: 326.7±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 112.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 63.48
ACD/KOC (pH 5.5): 679.09
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 63.48
ACD/KOC (pH 7.4): 679.09
Polar Surface Area: 82 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 330.9±5.0 cm3

Click to predict properties on the Chemicalize site


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