ChemSpider 2D Image | (2R,3aR,11bR)-6,7-Dihydroxy-9-methoxy-2-propyl-2,3,3a,11b-tetrahydro-5H-benzo[g]furo[3,2-c]isochromen-5-one | C19H20O6

(2R,3aR,11bR)-6,7-Dihydroxy-9-methoxy-2-propyl-2,3,3a,11b-tetrahydro-5H-benzo[g]furo[3,2-c]isochromen-5-one

  • Molecular FormulaC19H20O6
  • Average mass344.358 Da
  • Monoisotopic mass344.125977 Da
  • ChemSpider ID28289849

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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(2R,3aR,11bR)-6,7-Dihydroxy-9-methoxy-2-propyl-2,3,3a,11b-tetrahydro-5H-benzo[g]furo[3,2-c]isochromen-5-on [German] [ACD/IUPAC Name]
(2R,3aR,11bR)-6,7-Dihydroxy-9-methoxy-2-propyl-2,3,3a,11b-tetrahydro-5H-benzo[g]furo[3,2-c]isochromen-5-one [ACD/IUPAC Name]
(2R,3aR,11bR)-6,7-Dihydroxy-9-méthoxy-2-propyl-2,3,3a,11b-tétrahydro-5H-benzo[g]furo[3,2-c]isochromén-5-one [French] [ACD/IUPAC Name]
5H-Furo[3,2-b]naphtho[2,3-d]pyran-5-one, 2,3,3a,11b-tetrahydro-6,7-dihydroxy-9-methoxy-2-propyl-, (2R,3aR,11bR)- [ACD/Index Name]
lasionectrin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 545.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 197.8±23.6 °C
Index of Refraction: 1.625
Molar Refractivity: 91.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 39.18
ACD/KOC (pH 5.5): 290.22
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.53
Polar Surface Area: 85 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 258.1±3.0 cm3

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