ChemSpider 2D Image | 2-[5-Methyl-6-(3,5,7,13-tetrahydroxy-4,6,10,12,14-pentamethyl-10,14-nonadecadien-2-yl)tetrahydro-2H-pyran-2-yl]propanoic acid | C33H60O7

2-[5-Methyl-6-(3,5,7,13-tetrahydroxy-4,6,10,12,14-pentamethyl-10,14-nonadecadien-2-yl)tetrahydro-2H-pyran-2-yl]propanoic acid

  • Molecular FormulaC33H60O7
  • Average mass568.825 Da
  • Monoisotopic mass568.433899 Da
  • ChemSpider ID385363

More details:

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

2-[5-Methyl-6-(3,5,7,13-tetrahydroxy-4,6,10,12,14-pentamethyl-10,14-nonadecadien-2-yl)tetrahydro-2H-pyran-2-yl]propanoic acid [ACD/IUPAC Name]
2-[5-Methyl-6-(3,5,7,13-tetrahydroxy-4,6,10,12,14-pentamethyl-10,14-nonadecadien-2-yl)tetrahydro-2H-pyran-2-yl]propansäure [German] [ACD/IUPAC Name]
2H-Pyran-2-acetic acid, tetrahydro-α,5-dimethyl-6-(2,4,6,12-tetrahydroxy-1,3,5,9,11,13-hexamethyl-9,13-octadecadien-1-yl)- [ACD/Index Name]
Acide 2-[5-méthyl-6-(3,5,7,13-tétrahydroxy-4,6,10,12,14-pentaméthyl-10,14-nonadécadién-2-yl)tétrahydro-2H-pyran-2-yl]propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 715.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.5±6.0 kJ/mol
Flash Point: 215.7±25.0 °C
Index of Refraction: 1.508
Molar Refractivity: 161.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 560.36
ACD/KOC (pH 5.5): 1530.36
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 8.95
ACD/KOC (pH 7.4): 24.45
Polar Surface Area: 127 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 542.5±3.0 cm3

Click to predict properties on the Chemicalize site


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