ChemSpider 2D Image | 6-{7-[5-Ethyl-5-(5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-3-methyltetrahydro-2-furanyl]-4-hydroxy-3,5-dimethyl-6-oxononyl}-2-hydroxy-3-methylbenzoate | C34H53O8

6-{7-[5-Ethyl-5-(5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-3-methyltetrahydro-2-furanyl]-4-hydroxy-3,5-dimethyl-6-oxononyl}-2-hydroxy-3-methylbenzoate

  • Molecular FormulaC34H53O8
  • Average mass589.780 Da
  • Monoisotopic mass589.374573 Da
  • ChemSpider ID3750

  • Charge - Charge

More details:

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

6-{7-[5-Ethyl-5-(5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-3-methyltetrahydro-2-furanyl]-4-hydroxy-3,5-dimethyl-6-oxononyl}-2-hydroxy-3-methylbenzoat [German] [ACD/IUPAC Name]
6-{7-[5-Ethyl-5-(5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-3-methyltetrahydro-2-furanyl]-4-hydroxy-3,5-dimethyl-6-oxononyl}-2-hydroxy-3-methylbenzoate [ACD/IUPAC Name]
6-{7-[5-Éthyl-5-(5-éthyl-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl)-3-méthyltétrahydro-2-furanyl]-4-hydroxy-3,5-diméthyl-6-oxononyl}-2-hydroxy-3-méthylbenzoate [French] [ACD/IUPAC Name]
Nonitol, 1,4:5,9-dianhydro-1-C-[7-(2-carboxy-3-hydroxy-4-methylphenyl)-1-ethyl-4-hydroxy-3,5-dimethyl-2-oxoheptyl]-2,3,6,7-tetradeoxy-4,8-di-C-ethyl-2-methyl-9-C-methyl-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 735.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 224.8±26.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 27.85
ACD/KOC (pH 5.5): 56.67
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 15.61
ACD/KOC (pH 7.4): 31.75
Polar Surface Area: 136 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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