ChemSpider 2D Image | 3,9-Dihydroxy-6,11-bis(2-hydroxy-2-propanyl)-13-(3-methyl-2-buten-1-yl)-6,7,10,11-tetrahydro-8H-furo[3',2':6,7]chromeno[3,2-d][1]benzoxepin-8-one | C30H34O8

3,9-Dihydroxy-6,11-bis(2-hydroxy-2-propanyl)-13-(3-methyl-2-buten-1-yl)-6,7,10,11-tetrahydro-8H-furo[3',2':6,7]chromeno[3,2-d][1]benzoxepin-8-one

  • Molecular FormulaC30H34O8
  • Average mass522.586 Da
  • Monoisotopic mass522.225342 Da
  • ChemSpider ID24844325

More details:






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

3,9-Dihydroxy-6,11-bis(2-hydroxy-2-propanyl)-13-(3-methyl-2-buten-1-yl)-6,7,10,11-tetrahydro-8H-furo[3',2':6,7]chromeno[3,2-d][1]benzoxepin-8-on [German] [ACD/IUPAC Name]
3,9-Dihydroxy-6,11-bis(2-hydroxy-2-propanyl)-13-(3-methyl-2-buten-1-yl)-6,7,10,11-tetrahydro-8H-furo[3',2':6,7]chromeno[3,2-d][1]benzoxepin-8-one [ACD/IUPAC Name]
3,9-Dihydroxy-6,11-bis(2-hydroxy-2-propanyl)-13-(3-méthyl-2-butén-1-yl)-6,7,10,11-tétrahydro-8H-furo[3',2':6,7]chroméno[3,2-d][1]benzoxépin-8-one [French] [ACD/IUPAC Name]
8H-Furo[3',2':6,7][1]benzopyrano[3,2-d][1]benzoxepin-8-one, 6,7,10,11-tetrahydro-3,9-dihydroxy-6,11-bis(1-hydroxy-1-methylethyl)-13-(3-methyl-2-buten-1-yl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 754.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 248.3±26.4 °C
Index of Refraction: 1.664
Molar Refractivity: 139.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1609.31
ACD/KOC (pH 5.5): 6843.76
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 791.69
ACD/KOC (pH 7.4): 3366.74
Polar Surface Area: 126 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 375.5±5.0 cm3

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