ChemSpider 2D Image | (6aR,11aR)-2,2-Dimethyl-2H,6H-[1]benzofuro[3,2-c]pyrano[2,3-h]chromene-6a,9(11aH)-diol | C20H18O5

(6aR,11aR)-2,2-Dimethyl-2H,6H-[1]benzofuro[3,2-c]pyrano[2,3-h]chromene-6a,9(11aH)-diol

  • Molecular FormulaC20H18O5
  • Average mass338.354 Da
  • Monoisotopic mass338.115417 Da
  • ChemSpider ID26346422

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aR,11aR)-2,2-Dimethyl-2H,6H-[1]benzofuro[3,2-c]pyrano[2,3-h]chromen-6a,9(11aH)-diol [German] [ACD/IUPAC Name]
(6aR,11aR)-2,2-Dimethyl-2H,6H-[1]benzofuro[3,2-c]pyrano[2,3-h]chromene-6a,9(11aH)-diol [ACD/IUPAC Name]
(6aR,11aR)-2,2-Diméthyl-2H,6H-[1]benzofuro[3,2-c]pyrano[2,3-h]chromène-6a,9(11aH)-diol [French] [ACD/IUPAC Name]
2H,6H-Benzo[4,5]furo[2,3-d]benzo[1,2-b:5,6-b']dipyran-6a,9(11aH)-diol, 2,2-dimethyl-, (6aR,11aR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 527.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 272.7±30.1 °C
Index of Refraction: 1.669
Molar Refractivity: 90.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 134.46
ACD/KOC (pH 5.5): 1162.08
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 133.22
ACD/KOC (pH 7.4): 1151.39
Polar Surface Area: 68 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 67.8±3.0 dyne/cm
Molar Volume: 242.1±3.0 cm3

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