ChemSpider 2D Image | (2R,4S,8R)-4,8-Dihydroxy-2-[(1R)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydro-5H-chromen-5-one | C16H26O5

(2R,4S,8R)-4,8-Dihydroxy-2-[(1R)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydro-5H-chromen-5-one

  • Molecular FormulaC16H26O5
  • Average mass298.375 Da
  • Monoisotopic mass298.178009 Da
  • ChemSpider ID78440032

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,4S,8R)-4,8-Dihydroxy-2-[(1R)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydro-5H-chromen-5-on [German] [ACD/IUPAC Name]
(2R,4S,8R)-4,8-Dihydroxy-2-[(1R)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydro-5H-chromen-5-one [ACD/IUPAC Name]
(2R,4S,8R)-4,8-Dihydroxy-2-[(1R)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydro-5H-chromén-5-one [French] [ACD/IUPAC Name]
5H-1-Benzopyran-5-one, 2,3,4,6,7,8-hexahydro-4,8-dihydroxy-2-[(1R)-1-hydroxyheptyl]-, (2R,4S,8R)- [ACD/Index Name]
(2S*, 4R*, 8R*, 1′S*)4,8-dihydroxy-2-(1-hydroxyheptyl)-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-5-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 514.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.5±6.0 kJ/mol
Flash Point: 187.4±23.6 °C
Index of Refraction: 1.546
Molar Refractivity: 77.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.04
ACD/KOC (pH 5.5): 253.67
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.04
ACD/KOC (pH 7.4): 253.67
Polar Surface Area: 87 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 245.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement