ChemSpider 2D Image | (2R)-2-{(2R,5S)-5-[(2S)-2-{[(2S)-2-{(2S,5R)-5-[(2R)-2-Hydroxypropyl]tetrahydro-2-furanyl}propanoyl]oxy}butyl]tetrahydro-2-furanyl}propanoic acid | C21H36O7

(2R)-2-{(2R,5S)-5-[(2S)-2-{[(2S)-2-{(2S,5R)-5-[(2R)-2-Hydroxypropyl]tetrahydro-2-furanyl}propanoyl]oxy}butyl]tetrahydro-2-furanyl}propanoic acid

  • Molecular FormulaC21H36O7
  • Average mass400.506 Da
  • Monoisotopic mass400.246094 Da
  • ChemSpider ID78437507

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R)-2-{(2R,5S)-5-[(2S)-2-{[(2S)-2-{(2S,5R)-5-[(2R)-2-Hydroxypropyl]tetrahydro-2-furanyl}propanoyl]oxy}butyl]tetrahydro-2-furanyl}propanoic acid [ACD/IUPAC Name]
(2R)-2-{(2R,5S)-5-[(2S)-2-{[(2S)-2-{(2S,5R)-5-[(2R)-2-Hydroxypropyl]tetrahydro-2-furanyl}propanoyl]oxy}butyl]tetrahydro-2-furanyl}propansäure [German] [ACD/IUPAC Name]
2-Furanacetic acid, tetrahydro-α-methyl-5-[(2S)-2-[(2S)-1-oxo-2-[(2S,5R)-tetrahydro-5-[(2R)-2-hydroxypropyl]-2-furanyl]propoxy]butyl]-, (αR,2R,5S)- [ACD/Index Name]
Acide (2R)-2-{(2R,5S)-5-[(2S)-2-{[(2S)-2-{(2S,5R)-5-[(2R)-2-hydroxypropyl]tétrahydro-2-furanyl}propanoyl]oxy}butyl]tétrahydro-2-furanyl}propanoïque [French] [ACD/IUPAC Name]
(+)-homononactyl nonactate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 541.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.2±6.0 kJ/mol
Flash Point: 180.2±13.9 °C
Index of Refraction: 1.491
Molar Refractivity: 103.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.31
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 356.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement