ChemSpider 2D Image | 4-{[(2E)-5-(4'-{[(2E)-6,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl]oxy}-5,5-dimethyl-2',3'-dihydrospiro[1,3-dioxolane-2,7'-furo[3,2-g]chromen]-4-yl)-3-methyl-2-penten-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one | C42H48O11

4-{[(2E)-5-(4'-{[(2E)-6,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl]oxy}-5,5-dimethyl-2',3'-dihydrospiro[1,3-dioxolane-2,7'-furo[3,2-g]chromen]-4-yl)-3-methyl-2-penten-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one

  • Molecular FormulaC42H48O11
  • Average mass728.824 Da
  • Monoisotopic mass728.319641 Da
  • ChemSpider ID32766322

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{[(2E)-5-(4'-{[(2E)-6,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl]oxy}-5,5-dimethyl-2',3'-dihydrospiro[1,3-dioxolane-2,7'-furo[3,2-g]chromen]-4-yl)-3-methyl-2-penten-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one [ACD/IUPAC Name]
7H-Furo[3,2-g][1]benzopyran-7-one, 4-[[(2E)-5-[4'-[[(2E)-6,7-dihydroxy-3,7-dimethyl-2-octen-1-yl]oxy]-2',3'-dihydro-5,5-dimethylspiro[1,3-dioxolane-2,7'-[7H]furo[3,2-g][1]benzopyran]-4-yl]-3-methyl-2- penten-1-yl]oxy]- [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: 877.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.6±3.0 kJ/mol
Flash Point: 484.6±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 197.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 6.62
ACD/BCF (pH 5.5): 63138.94
ACD/KOC (pH 5.5): 94980.39
ACD/LogD (pH 7.4): 6.62
ACD/BCF (pH 7.4): 63138.94
ACD/KOC (pH 7.4): 94980.39
Polar Surface Area: 135 Å2
Polarizability: 78.3±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 548.8±5.0 cm3

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