ChemSpider 2D Image | (3aR,5R,11bR)-7-Hydroxy-5-methyl-5,11b-dihydro-3aH-benzo[g][1,3]dioxolo[4,5-c]isochromene-2,6,11-trione | C15H10O7

(3aR,5R,11bR)-7-Hydroxy-5-methyl-5,11b-dihydro-3aH-benzo[g][1,3]dioxolo[4,5-c]isochromene-2,6,11-trione

  • Molecular FormulaC15H10O7
  • Average mass302.236 Da
  • Monoisotopic mass302.042664 Da
  • ChemSpider ID32698316

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aR,5R,11bR)-7-Hydroxy-5-methyl-5,11b-dihydro-3aH-benzo[g][1,3]dioxolo[4,5-c]isochromen-2,6,11-trion [German] [ACD/IUPAC Name]
(3aR,5R,11bR)-7-Hydroxy-5-methyl-5,11b-dihydro-3aH-benzo[g][1,3]dioxolo[4,5-c]isochromene-2,6,11-trione [ACD/IUPAC Name]
(3aR,5R,11bR)-7-Hydroxy-5-méthyl-5,11b-dihydro-3aH-benzo[g][1,3]dioxolo[4,5-c]isochromène-2,6,11-trione [French] [ACD/IUPAC Name]
5H-1,3-Dioxolo[4,5-b]naphtho[2,3-d]pyran-2,6,11-trione, 3a,11b-dihydro-7-hydroxy-5-methyl-, (3aR,5R,11bR)- [ACD/Index Name]
11048-15-0 [RN]
kalafungin [INN] [USAN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 657.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 255.8±25.0 °C
Index of Refraction: 1.678
Molar Refractivity: 68.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 54.00
ACD/KOC (pH 5.5): 588.05
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 6.45
ACD/KOC (pH 7.4): 70.20
Polar Surface Area: 99 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 76.8±5.0 dyne/cm
Molar Volume: 182.3±5.0 cm3

Click to predict properties on the Chemicalize site


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