ChemSpider 2D Image | (3S,4S,5R)-3,4,5-Trihydroxy(3-~3~H)-1-cyclohexene-1-carboxylic acid | C7H9TO5

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

  • Molecular FormulaC7H9TO5
  • Average mass176.159 Da
  • Monoisotopic mass176.061050 Da
  • ChemSpider ID57267948

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3S,4S,5R)-3,4,5-Trihydroxy(3-3H)-1-cyclohexen-1-carbonsäure [German] [ACD/IUPAC Name]
(3S,4S,5R)-3,4,5-Trihydroxy(3-3H)-1-cyclohexene-1-carboxylic acid [ACD/IUPAC Name]
1-Cyclohexene-3-t-1-carboxylic acid, 3,4,5-trihydroxy-, (3S,4S,5R)- [ACD/Index Name]
Acide (3S,4S,5R)-3,4,5-trihydroxy(3-3H)-1-cyclohexène-1-carboxylique [French] [ACD/IUPAC Name]
SHIKIMIC ACID [3-3H]

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

Density:
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:
Molar Refractivity:
#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:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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