ChemSpider 2D Image | (2S,3S,4aR)-2,3,7-Trihydroxy-9-methoxy-4a-methyl-2,3,4,4a-tetrahydro-6H-benzo[c]chromen-6-one | C15H16O6

(2S,3S,4aR)-2,3,7-Trihydroxy-9-methoxy-4a-methyl-2,3,4,4a-tetrahydro-6H-benzo[c]chromen-6-one

  • Molecular FormulaC15H16O6
  • Average mass292.284 Da
  • Monoisotopic mass292.094696 Da
  • ChemSpider ID78440786

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,4aR)-2,3,7-Trihydroxy-9-methoxy-4a-methyl-2,3,4,4a-tetrahydro-6H-benzo[c]chromen-6-on [German] [ACD/IUPAC Name]
(2S,3S,4aR)-2,3,7-Trihydroxy-9-methoxy-4a-methyl-2,3,4,4a-tetrahydro-6H-benzo[c]chromen-6-one [ACD/IUPAC Name]
(2S,3S,4aR)-2,3,7-Trihydroxy-9-méthoxy-4a-méthyl-2,3,4,4a-tétrahydro-6H-benzo[c]chromén-6-one [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-6-one, 2,3,4,4a-tetrahydro-2,3,7-trihydroxy-9-methoxy-4a-methyl-, (2S,3S,4aR)- [ACD/Index Name]
(-)-(2S,3S,4aR)-isoaltenuene
(2S,3S,4aR)-2,3,7-trihydroxy-9-methoxy-4a-methyl-3,4-dihydro-2H-benzo[c]chromen-6-one
126671-80-5 [RN]
8042-47-5 [RN]
isoaltenuene

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

Density: 1.5±0.1 g/cm3
Boiling Point: 609.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 233.5±25.0 °C
Index of Refraction: 1.660
Molar Refractivity: 72.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.91
ACD/KOC (pH 5.5): 413.66
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 16.40
ACD/KOC (pH 7.4): 212.54
Polar Surface Area: 96 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 73.8±5.0 dyne/cm
Molar Volume: 195.4±5.0 cm3

Click to predict properties on the Chemicalize site


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