ChemSpider 2D Image | 3-{2,13-Dihydroxy-13-[5-(1-hydroxytridecyl)tetrahydro-2-furanyl]-9-oxotridecyl}-5-methyl-2(5H)-furanone | C35H62O7

3-{2,13-Dihydroxy-13-[5-(1-hydroxytridecyl)tetrahydro-2-furanyl]-9-oxotridecyl}-5-methyl-2(5H)-furanone

  • Molecular FormulaC35H62O7
  • Average mass594.863 Da
  • Monoisotopic mass594.449524 Da
  • ChemSpider ID35015129

More details:

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

2(5H)-Furanone, 3-[2,13-dihydroxy-9-oxo-13-[tetrahydro-5-(1-hydroxytridecyl)-2-furanyl]tridecyl]-5-methyl- [ACD/Index Name]
3-{2,13-Dihydroxy-13-[5-(1-hydroxytridecyl)tetrahydro-2-furanyl]-9-oxotridecyl}-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
3-{2,13-Dihydroxy-13-[5-(1-hydroxytridecyl)tetrahydro-2-furanyl]-9-oxotridecyl}-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
3-{2,13-Dihydroxy-13-[5-(1-hydroxytridécyl)tétrahydro-2-furanyl]-9-oxotridécyl}-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
3-{2,13-dihydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]-9-oxotridecyl}-5-methyl-5H-furan-2-one
Reticulacinone

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

Density: 1.0±0.1 g/cm3
Boiling Point: 752.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.2±6.0 kJ/mol
Flash Point: 226.5±26.4 °C
Index of Refraction: 1.502
Molar Refractivity: 167.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 7.34
ACD/BCF (pH 5.5): 222372.55
ACD/KOC (pH 5.5): 233892.17
ACD/LogD (pH 7.4): 7.34
ACD/BCF (pH 7.4): 222372.55
ACD/KOC (pH 7.4): 233892.17
Polar Surface Area: 113 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 567.7±3.0 cm3

Click to predict properties on the Chemicalize site


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