ChemSpider 2D Image | (6aR,11aR)-1-Methoxy-2,10-bis(3-methyl-2-buten-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol | C26H30O5

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

  • Molecular FormulaC26H30O5
  • Average mass422.513 Da
  • Monoisotopic mass422.209320 Da
  • ChemSpider ID23314494

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aR,11aR)-1-Methoxy-2,10-bis(3-methyl-2-buten-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3,9-diol [German] [ACD/IUPAC Name]
(6aR,11aR)-1-Methoxy-2,10-bis(3-methyl-2-buten-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol [ACD/IUPAC Name]
(6aR,11aR)-1-Méthoxy-2,10-bis(3-méthyl-2-butén-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromène-3,9-diol [French] [ACD/IUPAC Name]
(6aR,11aR)-1-methoxy-2,10-bis(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol, 6a,11a-dihydro-1-methoxy-2,10-bis(3-methyl-2-buten-1-yl)-, (6aR,11aR)- [ACD/Index Name]
(6aR,11aR)-3,9-dihydroxy-2,10-di(3,3-dimethylallyl)-1-methoxypterocarpane
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL401566/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 560.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 292.8±30.1 °C
Index of Refraction: 1.600
Molar Refractivity: 121.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 21289.62
ACD/KOC (pH 5.5): 43619.23
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 21148.53
ACD/KOC (pH 7.4): 43330.16
Polar Surface Area: 68 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 354.8±3.0 cm3

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