ChemSpider 2D Image | 5-Methyl-3-{2,10,13-trihydroxy-13-[5'-(1-hydroxyundecyl)octahydro-2,2'-bifuran-5-yl]tridecyl}-2(5H)-furanone | C37H66O8

5-Methyl-3-{2,10,13-trihydroxy-13-[5'-(1-hydroxyundecyl)octahydro-2,2'-bifuran-5-yl]tridecyl}-2(5H)-furanone

  • Molecular FormulaC37H66O8
  • Average mass638.915 Da
  • Monoisotopic mass638.475769 Da
  • ChemSpider ID2958831

More details:

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

2(5H)-Furanone, 5-methyl-3-[2,10,13-trihydroxy-13-[octahydro-5'-(1-hydroxyundecyl)[2,2'-bifuran]-5-yl]tridecyl]- [ACD/Index Name]
5-Methyl-3-{2,10,13-trihydroxy-13-[5'-(1-hydroxyundecyl)octahydro-2,2'-bifuran-5-yl]tridecyl}-2(5H)-furanon [German] [ACD/IUPAC Name]
5-Methyl-3-{2,10,13-trihydroxy-13-[5'-(1-hydroxyundecyl)octahydro-2,2'-bifuran-5-yl]tridecyl}-2(5H)-furanone [ACD/IUPAC Name]
5-Méthyl-3-{2,10,13-trihydroxy-13-[5'-(1-hydroxyundécyl)octahydro-2,2'-bifuran-5-yl]tridécyl}-2(5H)-furanone [French] [ACD/IUPAC Name]
12-Hydroxybullatacin
5-methyl-3-(2,10,13-trihydroxy-13-{5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl}tridecyl)-5H-furan-2-one
Purpureacin 2

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

Density: 1.1±0.1 g/cm3
Boiling Point: 773.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.3±6.0 kJ/mol
Flash Point: 229.4±22.2 °C
Index of Refraction: 1.516
Molar Refractivity: 177.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 6.87
ACD/BCF (pH 5.5): 98613.54
ACD/KOC (pH 5.5): 130688.87
ACD/LogD (pH 7.4): 6.87
ACD/BCF (pH 7.4): 98613.54
ACD/KOC (pH 7.4): 130688.87
Polar Surface Area: 126 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 588.8±3.0 cm3

Click to predict properties on the Chemicalize site


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