ChemSpider 2D Image | [(3R,4R)-5-Hydroxy-3-(2-hydroxyethyl)-2,2-dimethyl-7-(2-methyl-2-octanyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid | C24H38O5

[(3R,4R)-5-Hydroxy-3-(2-hydroxyethyl)-2,2-dimethyl-7-(2-methyl-2-octanyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid

  • Molecular FormulaC24H38O5
  • Average mass406.556 Da
  • Monoisotopic mass406.271912 Da
  • ChemSpider ID34257940

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(3R,4R)-5-Hydroxy-3-(2-hydroxyethyl)-2,2-dimethyl-7-(2-methyl-2-octanyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid [ACD/IUPAC Name]
[(3R,4R)-5-Hydroxy-3-(2-hydroxyethyl)-2,2-dimethyl-7-(2-methyl-2-octanyl)-3,4-dihydro-2H-chromen-4-yl]essigsäure [German] [ACD/IUPAC Name]
2H-1-Benzopyran-4-acetic acid, 7-(1,1-dimethylheptyl)-3,4-dihydro-5-hydroxy-3-(2-hydroxyethyl)-2,2-dimethyl-, (3R,4R)- [ACD/Index Name]
Acide [(3R,4R)-5-hydroxy-3-(2-hydroxyéthyl)-2,2-diméthyl-7-(2-méthyl-2-octanyl)-3,4-dihydro-2H-chromén-4-yl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 523.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 168.5±23.6 °C
Index of Refraction: 1.514
Molar Refractivity: 114.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 1762.98
ACD/KOC (pH 5.5): 3618.80
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 27.84
ACD/KOC (pH 7.4): 57.14
Polar Surface Area: 87 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 380.6±3.0 cm3

Click to predict properties on the Chemicalize site


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