ChemSpider 2D Image | (5S)-3-[(13S)-13-Hydroxy-13-{(2S,5R)-5-[(1R)-1-hydroxyundecyl]tetrahydro-2-furanyl}tridecyl]-5-methyl-2(5H)-furanone | C33H60O5

(5S)-3-[(13S)-13-Hydroxy-13-{(2S,5R)-5-[(1R)-1-hydroxyundecyl]tetrahydro-2-furanyl}tridecyl]-5-methyl-2(5H)-furanone

  • Molecular FormulaC33H60O5
  • Average mass536.826 Da
  • Monoisotopic mass536.444092 Da
  • ChemSpider ID8545392

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5S)-3-[(13S)-13-Hydroxy-13-{(2S,5R)-5-[(1R)-1-hydroxyundecyl]tetrahydro-2-furanyl}tridecyl]-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(13S)-13-Hydroxy-13-{(2S,5R)-5-[(1R)-1-hydroxyundecyl]tetrahydro-2-furanyl}tridecyl]-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-[(13S)-13-Hydroxy-13-{(2S,5R)-5-[(1R)-1-hydroxyundécyl]tétrahydro-2-furanyl}tridécyl]-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(13S)-13-hydroxy-13-[(2S,5R)-tetrahydro-5-[(1R)-1-hydroxyundecyl]-2-furanyl]tridecyl]-5-methyl-, (5S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 664.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±6.0 kJ/mol
Flash Point: 199.5±16.7 °C
Index of Refraction: 1.493
Molar Refractivity: 156.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 9.18
ACD/LogD (pH 5.5): 9.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2671539.75
ACD/LogD (pH 7.4): 9.28
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2671539.75
Polar Surface Area: 76 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 539.7±3.0 cm3

Click to predict properties on the Chemicalize site


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