ChemSpider 2D Image | (R)-demethyl-4-deoxygadusol | C7H10O5

(R)-demethyl-4-deoxygadusol

  • Molecular FormulaC7H10O5
  • Average mass174.151 Da
  • Monoisotopic mass174.052826 Da
  • ChemSpider ID58170268

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-2,3,5-Trihydroxy-5-(hydroxymethyl)-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
(5R)-2,3,5-Trihydroxy-5-(hydroxymethyl)-2-cyclohexen-1-one [ACD/IUPAC Name]
(5R)-2,3,5-Trihydroxy-5-(hydroxyméthyl)-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
(R)-demethyl-4-deoxygadusol
2-Cyclohexen-1-one, 2,3,5-trihydroxy-5-(hydroxymethyl)-, (5R)- [ACD/Index Name]
(5R)-2,3,5-trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one

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

Density: 1.7±0.1 g/cm3
Boiling Point: 405.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.9±6.0 kJ/mol
Flash Point: 212.9±25.2 °C
Index of Refraction: 1.690
Molar Refractivity: 38.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.26
ACD/LogD (pH 5.5): -2.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 118.3±3.0 dyne/cm
Molar Volume: 100.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement