ChemSpider 2D Image | (5S)-3-[(15S)-15-Hydroxy-15-{(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydro-2-furanyl}pentadecyl]-5-methyl-2(5H)-furanone | C37H68O5

(5S)-3-[(15S)-15-Hydroxy-15-{(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydro-2-furanyl}pentadecyl]-5-methyl-2(5H)-furanone

  • Molecular FormulaC37H68O5
  • Average mass592.933 Da
  • Monoisotopic mass592.506653 Da
  • ChemSpider ID31143373

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5S)-3-[(15S)-15-Hydroxy-15-{(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydro-2-furanyl}pentadecyl]-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(15S)-15-Hydroxy-15-{(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydro-2-furanyl}pentadecyl]-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-[(15S)-15-Hydroxy-15-{(2R,5R)-5-[(1R)-1-hydroxytridécyl]tétrahydro-2-furanyl}pentadécyl]-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(15S)-15-hydroxy-15-[(2R,5R)-tetrahydro-5-[(1R)-1-hydroxytridecyl]-2-furanyl]pentadecyl]-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: 702.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.4±6.0 kJ/mol
Flash Point: 204.5±18.1 °C
Index of Refraction: 1.491
Molar Refractivity: 175.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: 11.31
ACD/LogD (pH 5.5): 10.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 76 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 605.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement