ChemSpider 2D Image | 3-[(2R,13R)-2,13-Dihydroxy-13-{(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydro-2-furanyl}tridecyl]-5-hydroxy-5-methyl-2(5H)-furanone | C35H64O7

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

  • Molecular FormulaC35H64O7
  • Average mass596.878 Da
  • Monoisotopic mass596.465210 Da
  • ChemSpider ID8229812

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2(5H)-Furanone, 3-[(2R,13R)-2,13-dihydroxy-13-[(2R,5R)-tetrahydro-5-[(1R)-1-hydroxytridecyl]-2-furanyl]tridecyl]-5-hydroxy-5-methyl- [ACD/Index Name]
3-[(2R,13R)-2,13-Dihydroxy-13-{(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydro-2-furanyl}tridecyl]-5-hydroxy-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
3-[(2R,13R)-2,13-Dihydroxy-13-{(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydro-2-furanyl}tridecyl]-5-hydroxy-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
3-[(2R,13R)-2,13-Dihydroxy-13-{(2R,5R)-5-[(1R)-1-hydroxytridécyl]tétrahydro-2-furanyl}tridécyl]-5-hydroxy-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
3-[(2R,13R)-2,13-dihydroxy-13-{(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydrofuran-2-yl}tridecyl]-5-hydroxy-5-methylfuran-2(5H)-one
donnaienin A/34-epi-donnaienin A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL448589/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 737.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.8±6.0 kJ/mol
Flash Point: 220.1±26.4 °C
Index of Refraction: 1.509
Molar Refractivity: 169.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 7.36
ACD/LogD (pH 5.5): 7.68
ACD/BCF (pH 5.5): 406974.91
ACD/KOC (pH 5.5): 360493.66
ACD/LogD (pH 7.4): 7.68
ACD/BCF (pH 7.4): 406069.28
ACD/KOC (pH 7.4): 359691.47
Polar Surface Area: 116 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 566.0±3.0 cm3

Click to predict properties on the Chemicalize site


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