ChemSpider 2D Image | 3-{12,13-Dihydroxy-13-[5'-(1-hydroxyundecyl)octahydro-2,2'-bifuran-5-yl]tridecyl}-5-methyl-2(5H)-furanone | C37H66O7

3-{12,13-Dihydroxy-13-[5'-(1-hydroxyundecyl)octahydro-2,2'-bifuran-5-yl]tridecyl}-5-methyl-2(5H)-furanone

  • Molecular FormulaC37H66O7
  • Average mass622.916 Da
  • Monoisotopic mass622.480835 Da
  • ChemSpider ID160360

More details:

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

2(5H)-Furanone, 3-[12,13-dihydroxy-13-[octahydro-5'-(1-hydroxyundecyl)[2,2'-bifuran]-5-yl]tridecyl]-5-methyl- [ACD/Index Name]
3-{12,13-Dihydroxy-13-[5'-(1-hydroxyundecyl)octahydro-2,2'-bifuran-5-yl]tridecyl}-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
3-{12,13-Dihydroxy-13-[5'-(1-hydroxyundecyl)octahydro-2,2'-bifuran-5-yl]tridecyl}-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
3-{12,13-Dihydroxy-13-[5'-(1-hydroxyundécyl)octahydro-2,2'-bifuran-5-yl]tridécyl}-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
105072-16-0 [RN]
3-{12,13-DIHYDROXY-13-[5'-(1-HYDROXYUNDECYL)-[2,2'-BIOXOLANE]-5-YL]TRIDECYL}-5-METHYL-5H-FURAN-2-ONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 754.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.3±6.0 kJ/mol
Flash Point: 223.4±20.8 °C
Index of Refraction: 1.509
Molar Refractivity: 176.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 7.95
ACD/LogD (pH 5.5): 8.22
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 705558.69
ACD/LogD (pH 7.4): 8.22
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 705557.94
Polar Surface Area: 105 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 591.0±3.0 cm3

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