ChemSpider 2D Image | (2R)-3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoate | C9H9O5

(2R)-3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoate

  • Molecular FormulaC9H9O5
  • Average mass197.165 Da
  • Monoisotopic mass197.045547 Da
  • ChemSpider ID28533618

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoat [German] [ACD/IUPAC Name]
(2R)-3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoate [ACD/IUPAC Name]
(2R)-3-(3,4-Dihydroxyphényl)-2-hydroxypropanoate [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α,3,4-trihydroxy-, ion(1-), (αR)- [ACD/Index Name]
(2R)-3-(3,4-dihydroxyphenyl)lactate
(R)-3-(3,4-dihydroxyphenyl)lactate
R(+)-(3,4-dihydroxyphenyl)lactic acid
R(+)-3,4-dihydroxyphenyllactic acid
  • Miscellaneous

    • Chemical Class:

      A (2R)-2-hydroxy monocarboxylic acid anion that is the conjugate base of (2R)-3-(3,4-dihydroxyphenyl)lactic acid, obtained by deprotonation of the carboxy group. ChEBI CHEBI:71492

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

Density:
Boiling Point: 481.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 259.1±23.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.29
ACD/LogD (pH 5.5): -1.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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