ChemSpider 2D Image | (5S)-3-[(2R)-2-Hydroxy-7-{(5S)-5-[(1S,4R,5R)-1,4,5-trihydroxynonadecyl]tetrahydro-2-furanyl}heptyl]-5-methyl-2(5H)-furanone | C35H64O7

(5S)-3-[(2R)-2-Hydroxy-7-{(5S)-5-[(1S,4R,5R)-1,4,5-trihydroxynonadecyl]tetrahydro-2-furanyl}heptyl]-5-methyl-2(5H)-furanone

  • Molecular FormulaC35H64O7
  • Average mass596.878 Da
  • Monoisotopic mass596.465210 Da
  • ChemSpider ID154985

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(5S)-3-[(2R)-2-Hydroxy-7-{(5S)-5-[(1S,4R,5R)-1,4,5-trihydroxynonadecyl]tetrahydro-2-furanyl}heptyl]-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(2R)-2-Hydroxy-7-{(5S)-5-[(1S,4R,5R)-1,4,5-trihydroxynonadecyl]tetrahydro-2-furanyl}heptyl]-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-[(2R)-2-Hydroxy-7-{(5S)-5-[(1S,4R,5R)-1,4,5-trihydroxynonadécyl]tétrahydro-2-furanyl}heptyl]-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(2R)-2-hydroxy-7-[(5S)-tetrahydro-5-[(1S,4R,5R)-1,4,5-trihydroxynonadecyl]-2-furanyl]heptyl]-5-methyl-, (5S)- [ACD/Index Name]
(5S)-3-[(2R)-2-HYDROXY-7-[(5S)-5-[(1S,4R,5R)-1,4,5-TRIHYDROXYNONADECYL]OXOLAN-2-YL]HEPTYL]-5-METHYL-5H-FURAN-2-ONE
160399-32-6 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 760.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.3±6.0 kJ/mol
Flash Point: 228.4±23.6 °C
Index of Refraction: 1.504
Molar Refractivity: 169.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 7.34
ACD/BCF (pH 5.5): 223492.63
ACD/KOC (pH 5.5): 234734.98
ACD/LogD (pH 7.4): 7.34
ACD/BCF (pH 7.4): 223492.63
ACD/KOC (pH 7.4): 234734.98
Polar Surface Area: 116 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 570.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement