ChemSpider 2D Image | (7aR,12aR)-3,3-Dimethyl-2,3,7a,12a-tetrahydro-1H,7H-[1]benzofuro[3,2-c]pyrano[3,2-g]chromene-2,10-diol | C20H20O5

(7aR,12aR)-3,3-Dimethyl-2,3,7a,12a-tetrahydro-1H,7H-[1]benzofuro[3,2-c]pyrano[3,2-g]chromene-2,10-diol

  • Molecular FormulaC20H20O5
  • Average mass340.370 Da
  • Monoisotopic mass340.131073 Da
  • ChemSpider ID28283301

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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(7aR,12aR)-3,3-Dimethyl-2,3,7a,12a-tetrahydro-1H,7H-[1]benzofuro[3,2-c]pyrano[3,2-g]chromen-2,10-diol [German] [ACD/IUPAC Name]
(7aR,12aR)-3,3-Dimethyl-2,3,7a,12a-tetrahydro-1H,7H-[1]benzofuro[3,2-c]pyrano[3,2-g]chromene-2,10-diol [ACD/IUPAC Name]
(7aR,12aR)-3,3-Diméthyl-2,3,7a,12a-tétrahydro-1H,7H-[1]benzofuro[3,2-c]pyrano[3,2-g]chromène-2,10-diol [French] [ACD/IUPAC Name]
1H,7H-Benzo[4,5]furo[2,3-d]benzo[1,2-b:5,4-b']dipyran-2,10-diol, 2,3,7a,12a-tetrahydro-3,3-dimethyl-, (7aR,12aR)- [ACD/Index Name]
RAUTANDIOL A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 509.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 261.8±30.1 °C
Index of Refraction: 1.634
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 144.34
ACD/KOC (pH 5.5): 1222.62
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 143.47
ACD/KOC (pH 7.4): 1215.27
Polar Surface Area: 68 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 254.1±3.0 cm3

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