ChemSpider 2D Image | (6aS,11aR)-1-Methoxy-10-(3-methyl-2-buten-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol | C21H22O5

(6aS,11aR)-1-Methoxy-10-(3-methyl-2-buten-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol

  • Molecular FormulaC21H22O5
  • Average mass354.396 Da
  • Monoisotopic mass354.146729 Da
  • ChemSpider ID115015343

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aS,11aR)-1-Methoxy-10-(3-methyl-2-buten-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3,9-diol [German] [ACD/IUPAC Name]
(6aS,11aR)-1-Methoxy-10-(3-methyl-2-buten-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol [ACD/IUPAC Name]
(6aS,11aR)-1-Méthoxy-10-(3-méthyl-2-butén-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromène-3,9-diol [French] [ACD/IUPAC Name]
6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol, 6a,11a-dihydro-1-methoxy-10-(3-methyl-2-buten-1-yl)-, (6aS,11aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 521.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 269.3±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 98.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1109.06
ACD/KOC (pH 5.5): 5261.98
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1088.35
ACD/KOC (pH 7.4): 5163.72
Polar Surface Area: 68 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 279.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement