ChemSpider 2D Image | 6-Chloro-4,5,14,17,20-pentahydroxy-22,26-epoxyergosta-2,24-diene-1,26-dione | C28H39ClO8

6-Chloro-4,5,14,17,20-pentahydroxy-22,26-epoxyergosta-2,24-diene-1,26-dione

  • Molecular FormulaC28H39ClO8
  • Average mass539.057 Da
  • Monoisotopic mass538.233337 Da
  • ChemSpider ID383693

More details:






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

6-Chlor-4,5,14,17,20-pentahydroxy-22,26-epoxyergosta-2,24-dien-1,26-dion [German] [ACD/IUPAC Name]
6-Chloro-4,5,14,17,20-pentahydroxy-22,26-epoxyergosta-2,24-diene-1,26-dione [ACD/IUPAC Name]
6-Chloro-4,5,14,17,20-pentahydroxy-22,26-époxyergosta-2,24-diène-1,26-dione [French] [ACD/IUPAC Name]
Ergosta-2,24-diene-1,26-dione, 6-chloro-22,26-epoxy-4,5,14,17,20-pentahydroxy- [ACD/Index Name]
71339-25-8 [RN]
PHYSALOLACTONE

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

NSC339137 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 732.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.1±6.0 kJ/mol
Flash Point: 397.1±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 5.20
ACD/KOC (pH 5.5): 113.26
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.20
ACD/KOC (pH 7.4): 113.25
Polar Surface Area: 145 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 382.2±5.0 cm3

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