ChemSpider 2D Image | (4R,6R,6aS,9aS,9bR)-4-Hydroxy-3-(hydroxymethyl)-6,9-dimethyl-5,6,6a,7,9a,9b-hexahydrobenzo[de]chromen-2(4H)-one | C15H20O4

(4R,6R,6aS,9aS,9bR)-4-Hydroxy-3-(hydroxymethyl)-6,9-dimethyl-5,6,6a,7,9a,9b-hexahydrobenzo[de]chromen-2(4H)-one

  • Molecular FormulaC15H20O4
  • Average mass264.317 Da
  • Monoisotopic mass264.136169 Da
  • ChemSpider ID78443470

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4R,6R,6aS,9aS,9bR)-4-Hydroxy-3-(hydroxymethyl)-6,9-dimethyl-5,6,6a,7,9a,9b-hexahydrobenzo[de]chromen-2(4H)-on [German] [ACD/IUPAC Name]
(4R,6R,6aS,9aS,9bR)-4-Hydroxy-3-(hydroxymethyl)-6,9-dimethyl-5,6,6a,7,9a,9b-hexahydrobenzo[de]chromen-2(4H)-one [ACD/IUPAC Name]
(4R,6R,6aS,9aS,9bR)-4-Hydroxy-3-(hydroxyméthyl)-6,9-diméthyl-5,6,6a,7,9a,9b-hexahydrobenzo[de]chromén-2(4H)-one [French] [ACD/IUPAC Name]
Naphtho[1,8-bc]pyran-2(4H)-one, 5,6,6a,7,9a,9b-hexahydro-4-hydroxy-3-(hydroxymethyl)-6,9-dimethyl-, (4R,6R,6aS,9aS,9bR)- [ACD/Index Name]
Stereumin K

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

Density: 1.3±0.1 g/cm3
Boiling Point: 508.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.6±6.0 kJ/mol
Flash Point: 193.5±23.6 °C
Index of Refraction: 1.584
Molar Refractivity: 69.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.30
ACD/KOC (pH 5.5): 409.34
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.30
ACD/KOC (pH 7.4): 409.34
Polar Surface Area: 67 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 207.1±5.0 cm3

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