ChemSpider 2D Image | 2-(6-{6-[2-(5-Ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxo-2-octanyl}-3,5-dimethyltetrahydro -2H-pyran-2-yl)propanoic acid | C42H70O11

2-(6-{6-[2-(5-Ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxo-2-octanyl}-3,5-dimethyltetrahydro -2H-pyran-2-yl)propanoic acid

  • Molecular FormulaC42H70O11
  • Average mass750.999 Da
  • Monoisotopic mass750.491821 Da
  • ChemSpider ID4286

More details:

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

2-(6-{6-[2-(5-Ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxo-2-octanyl}-3,5-dimethyltetrahydro -2H-pyran-2-yl)propanoic acid [ACD/IUPAC Name]
2-(6-{6-[2-(5-Ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxo-2-octanyl}-3,5-dimethyltetrahydro -2H-pyran-2-yl)propansäure [German] [ACD/IUPAC Name]
2H-Pyran-2-acetic acid, 6-[5-[2-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]te ;trahydro-α,3,5-trimethyl- [ACD/Index Name]
Acide 2-(6-{6-[2-(5-éthyl-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-triméthyl-1,6,8-trioxadispiro[4.1.5.3]pentadéc-13-én-9-yl]-3-hydroxy-4-méthyl-5-oxo-2-octanyl}-3,5-diméthyltétr ahydro-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: 1.2±0.1 g/cm3
Boiling Point: 835.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.0±6.0 kJ/mol
Flash Point: 241.8±27.8 °C
Index of Refraction: 1.547
Molar Refractivity: 201.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 970.68
ACD/KOC (pH 5.5): 2267.72
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 15.51
ACD/KOC (pH 7.4): 36.24
Polar Surface Area: 161 Å2
Polarizability: 79.7±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 634.1±5.0 cm3

Click to predict properties on the Chemicalize site


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