ChemSpider 2D Image | (4S,5R)-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid | C7H10O5

(4S,5R)-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid

  • Molecular FormulaC7H10O5
  • Average mass174.151 Da
  • Monoisotopic mass174.052826 Da
  • ChemSpider ID61713098
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

(3R,4S,5R)-3,4,5-Trihydroxy-1-cyclohexen-1-carbonsäure [German] [ACD/IUPAC Name]
(3R,4S,5R)-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid [ACD/IUPAC Name]
(4S,5R)-3,4,5-Trihydroxy-1-cyclohexen-1-carbonsäure [German] [ACD/IUPAC Name]
(4S,5R)-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid [ACD/IUPAC Name]
1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R,4S,5R)- [ACD/Index Name]
1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (4S,5R)- [ACD/Index Name]
Acide (3R,4S,5R)-3,4,5-trihydroxy-1-cyclohexène-1-carboxylique [French] [ACD/IUPAC Name]
Acide (4S,5R)-3,4,5-trihydroxy-1-cyclohexène-1-carboxylique [French] [ACD/IUPAC Name]
(4S,5R)-4,5-Dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid
3DS

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 400.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.3±6.0 kJ/mol
Flash Point: 210.1±25.2 °C
Index of Refraction: 1.680
Molar Refractivity: 38.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.92
ACD/LogD (pH 5.5): -2.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 116.6±3.0 dyne/cm
Molar Volume: 100.9±3.0 cm3

Click to predict properties on the Chemicalize site






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