ChemSpider 2D Image | (2R)-5-Hydroxy-2-methyl-6-[(2R)-2-methylbutanoyl]-2-(4-methyl-3-penten-1-yl)-10-phenyl-2H,8H-pyrano[2,3-f]chromen-8-one | C30H32O5

(2R)-5-Hydroxy-2-methyl-6-[(2R)-2-methylbutanoyl]-2-(4-methyl-3-penten-1-yl)-10-phenyl-2H,8H-pyrano[2,3-f]chromen-8-one

  • Molecular FormulaC30H32O5
  • Average mass472.572 Da
  • Monoisotopic mass472.224976 Da
  • ChemSpider ID57643051
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R)-5-Hydroxy-2-methyl-6-[(2R)-2-methylbutanoyl]-2-(4-methyl-3-penten-1-yl)-10-phenyl-2H,8H-pyrano[2,3-f]chromen-8-on [German] [ACD/IUPAC Name]
(2R)-5-Hydroxy-2-methyl-6-[(2R)-2-methylbutanoyl]-2-(4-methyl-3-penten-1-yl)-10-phenyl-2H,8H-pyrano[2,3-f]chromen-8-one [ACD/IUPAC Name]
(2R)-5-Hydroxy-2-méthyl-6-[(2R)-2-méthylbutanoyl]-2-(4-méthyl-3-pentén-1-yl)-10-phényl-2H,8H-pyrano[2,3-f]chromén-8-one [French] [ACD/IUPAC Name]
2H,8H-Benzo[1,2-b:3,4-b']dipyran-8-one, 5-hydroxy-2-methyl-6-[(2R)-2-methyl-1-oxobutyl]-2-(4-methyl-3-penten-1-yl)-10-phenyl-, (2R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 647.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 211.6±25.0 °C
Index of Refraction: 1.584
Molar Refractivity: 135.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 10.43
ACD/LogD (pH 5.5): 8.01
ACD/BCF (pH 5.5): 564288.94
ACD/KOC (pH 5.5): 342469.72
ACD/LogD (pH 7.4): 6.34
ACD/BCF (pH 7.4): 12194.45
ACD/KOC (pH 7.4): 7400.87
Polar Surface Area: 73 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 405.7±3.0 cm3

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