ChemSpider 2D Image | (2S)-2-[(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)oxy]succinate | C12H17NO10

(2S)-2-[(2-Acetamido-2-deoxy-α-D-glucopyranosyl)oxy]succinate

  • Molecular FormulaC12H17NO10
  • Average mass335.265 Da
  • Monoisotopic mass335.086334 Da
  • ChemSpider ID28184702

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-2-[(2-Acetamido-2-deoxy-α-D-glucopyranosyl)oxy]succinate [ACD/IUPAC Name]
(2S)-2-[(2-Acetamido-2-desoxy-α-D-glucopyranosyl)oxy]succinat [German] [ACD/IUPAC Name]
(2S)-2-[(2-Acétamido-2-désoxy-α-D-glucopyranosyl)oxy]succinate [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[[2-(acetylamino)-2-deoxy-α-D-glucopyranosyl]oxy]-, ion(2-), (2S)- [ACD/Index Name]
(<i>S</i&gt;)-malyl <i>N</i>-acetyl-&α
(2S)-2-[(2-acetamido-2-deoxy-α-D-glucopyranosyl)oxy]butanedioate
(S)-malyl N-acetyl-α-D-glucosaminide
(S)-malyl N-acetyl-α-D-glucosaminide(2-)
-D-glucosaminide
GlcNAc-Mal
More...
  • Miscellaneous

    • Chemical Class:

      A carbohydrate acid derivative anion obtained by deprotonation of both carboxy groups of (S)-malyl N-acetyl-alpha-D-glucosaminide; major species at pH 7.3. ChEBI CHEBI:64870
      A carbohydrate acid derivative anion obtained by deprotonation of both carboxy groups of (S)-malyl N-acetyl-alpha-D-glucosaminide;; major species at pH 7.3. ChEBI CHEBI:64870

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

Density:
Boiling Point: 720.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.2±6.0 kJ/mol
Flash Point: 389.5±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.06
ACD/LogD (pH 5.5): -4.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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