ChemSpider 2D Image | PSB-SB-487 | C26H32O4

PSB-SB-487

  • Molecular FormulaC26H32O4
  • Average mass408.530 Da
  • Monoisotopic mass408.230072 Da
  • ChemSpider ID28667155

More details:

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

1399049-81-0 [RN]
2H-1-Benzopyran-2-one, 7-(1,1-dimethyloctyl)-5-hydroxy-3-[(2-hydroxyphenyl)methyl]- [ACD/Index Name]
5-Hydroxy-3-(2-hydroxybenzyl)-7-(2-methyl-2-nonanyl)-2H-chromen-2-on [German] [ACD/IUPAC Name]
5-Hydroxy-3-(2-hydroxybenzyl)-7-(2-methyl-2-nonanyl)-2H-chromen-2-one [ACD/IUPAC Name]
5-Hydroxy-3-(2-hydroxybenzyl)-7-(2-méthyl-2-nonanyl)-2H-chromén-2-one [French] [ACD/IUPAC Name]
5-hydroxy-3-[(2-hydroxyphenyl)methyl]-7-(2-methylnonan-2-yl)-2H-chromen-2-one
5-hydroxy-3-[(2-hydroxyphenyl)methyl]-7-(2-methylnonan-2-yl)chromen-2-one
PSB-SB-487 [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 580.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 192.8±23.6 °C
Index of Refraction: 1.582
Molar Refractivity: 118.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 8.37
ACD/LogD (pH 5.5): 8.19
ACD/BCF (pH 5.5): 991436.56
ACD/KOC (pH 5.5): 680087.56
ACD/LogD (pH 7.4): 7.96
ACD/BCF (pH 7.4): 577572.13
ACD/KOC (pH 7.4): 396192.38
Polar Surface Area: 67 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 356.0±3.0 cm3

Click to predict properties on the Chemicalize site


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