ChemSpider 2D Image | (-)-rutamarin | C21H24O5

(-)-rutamarin

  • Molecular FormulaC21H24O5
  • Average mass356.412 Da
  • Monoisotopic mass356.162384 Da
  • ChemSpider ID21537443

More details:






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

(-)-rutamarin
2-[6-(2-Methyl-3-buten-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]-2-propanyl acetate [ACD/IUPAC Name]
2-[6-(2-Methyl-3-buten-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]-2-propanyl-acetat [German] [ACD/IUPAC Name]
7H-Furo[3,2-g][1]benzopyran-7-one, 2-[1-(acetyloxy)-1-methylethyl]-6-(1,1-dimethyl-2-propen-1-yl)-2,3-dihydro- [ACD/Index Name]
Acétate de 2-[6-(2-méthyl-3-butén-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromén-2-yl]-2-propanyle [French] [ACD/IUPAC Name]
7H-Furo[3,2-g][1]benzopyran-7-one, 2-[1-(acetyloxy)-1-methylethyl]-6-(1,1-dimethyl-2-propen-1-yl)-2,3-dihydro-, (2R)-
RUTAMARIN, (-)-

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

9Q5CT45WKY [DBID]
UNII:9Q5CT45WKY [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 471.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 204.9±28.8 °C
Index of Refraction: 1.555
Molar Refractivity: 96.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3198.71
ACD/KOC (pH 5.5): 11231.96
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3198.71
ACD/KOC (pH 7.4): 11231.96
Polar Surface Area: 62 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 299.3±3.0 cm3

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