ChemSpider 2D Image | (2S)-2-Hydroxy(2-~2~H)butanedioic acid | C4H5DO5

(2S)-2-Hydroxy(2-2H)butanedioic acid

  • Molecular FormulaC4H5DO5
  • Average mass135.094 Da
  • Monoisotopic mass135.027802 Da
  • ChemSpider ID57268304

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-2-Hydroxy(2-2H)butandisäure [German] [ACD/IUPAC Name]
(2S)-2-Hydroxy(2-2H)butanedioic acid [ACD/IUPAC Name]
Acide (2S)-2-hydroxy(2-2H)butanedioïque [French] [ACD/IUPAC Name]
Butanedioic-2-d acid, 2-hydroxy-, (2S)- [ACD/Index Name]
(S)-(-)-Malic-2,3,3-d3 Acid
59652-74-3 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 306.4±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 63.4±6.0 kJ/mol
Flash Point: 153.4±20.2 °C
Index of Refraction: 1.529
Molar Refractivity: 25.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.26
ACD/LogD (pH 5.5): -4.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 10.0±0.5 10-24cm3
Surface Tension: 86.3±3.0 dyne/cm
Molar Volume: 81.7±3.0 cm3

Click to predict properties on the Chemicalize site


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