ChemSpider 2D Image | (5S)-2,5-Anhydro-1,4-dideoxy-5-(4-methoxyphenyl)-4-methyl-D-ribitol | C13H18O3

(5S)-2,5-Anhydro-1,4-dideoxy-5-(4-methoxyphenyl)-4-methyl-D-ribitol

  • Molecular FormulaC13H18O3
  • Average mass222.280 Da
  • Monoisotopic mass222.125595 Da
  • ChemSpider ID30658720

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5S)-2,5-Anhydro-1,4-dideoxy-5-(4-methoxyphenyl)-4-methyl-D-ribitol [ACD/IUPAC Name]
(5S)-2,5-Anhydro-1,4-didesoxy-5-(4-methoxyphenyl)-4-methyl-D-ribitol [German] [ACD/IUPAC Name]
(5S)-2,5-Anhydro-1,4-didésoxy-5-(4-méthoxyphényl)-4-méthyl-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 2,5-anhydro-1,4-dideoxy-5-C-(4-methoxyphenyl)-4-methyl-, (5S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 360.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 64.0±3.0 kJ/mol
Flash Point: 171.9±27.9 °C
Index of Refraction: 1.519
Molar Refractivity: 62.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.17
ACD/KOC (pH 5.5): 309.44
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.17
ACD/KOC (pH 7.4): 309.44
Polar Surface Area: 39 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 204.9±3.0 cm3

Click to predict properties on the Chemicalize site


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