Chemical Properties of N-ACETYL-D-GLUCOSAMINE

InChI

InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1

InChI Key

MBLBDJOUHNCFQT-LXGUWJNJSA-N

Formula

C8H15NO6

SMILES

CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO

Molecular Weight¹

221.21

Other Names

• 2-Acetamido-2-deoxy-D-glucose
• 2-Acetamido-2-deoxyglucose
• 2-Acetamido-D-glucose
• 2-acetylamino-2-deoxy-D-glucose
• Acetylglucosamine
• D-Glucose, 2-(acetylamino)-2-deoxy-
• D-Glucose, 2-acetamido-2-deoxy-
• N-((2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)acetamide
• N-Acetylglucosamine
• N-acetyl-«beta»-D-glucosamine
• NSC 524344
• d-N-Acetylglucosamine

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[269.80; 332.00]	J/mol×K	[288.15; 358.15]
Cp,solid	269.80	J/mol×K	288.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	276.40	J/mol×K	293.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	276.90	J/mol×K	298.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	278.00	J/mol×K	303.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	283.30	J/mol×K	308.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	281.00	J/mol×K	313.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	281.40	J/mol×K	318.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	292.70	J/mol×K	323.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	293.10	J/mol×K	328.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	299.40	J/mol×K	333.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	303.80	J/mol×K	338.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	308.70	J/mol×K	343.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	319.70	J/mol×K	348.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	325.20	J/mol×K	353.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	332.00	J/mol×K	358.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[245.96; 525.58]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.76010e+01
Coefficient B			9.46120e-01
Coefficient C			-5.68700e-04
Coefficient D			1.20560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	245.96	J/mol×K	273.00	Calculated Property
Cp,gas	296.48	J/mol×K	353.78	Calculated Property
Cp,gas	341.24	J/mol×K	434.56	Calculated Property
Cp,gas	380.64	J/mol×K	515.33	Calculated Property
Cp,gas	415.04	J/mol×K	596.11	Calculated Property
Cp,gas	444.84	J/mol×K	676.89	Calculated Property
Cp,gas	470.41	J/mol×K	757.67	Calculated Property
Cp,gas	492.14	J/mol×K	838.44	Calculated Property
Cp,gas	510.40	J/mol×K	919.22	Calculated Property
Cp,gas	525.58	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N-ACETYL-D-GLUCOSAMINE.

Mixtures

• Water + N-ACETYL-D-GLUCOSAMINE

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Apparent molar volumes and apparent molar heat capacities of aqueous N-acetyl-D-glucosamine at temperatures from 278.15 K to 368.15 K and of aqueous N-methylacetamide at temperatures from 278.15 K to 393.15 K at the pressure 0.35 MPa
• Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
• Joback Method
• McGowan Method
• NIST Webbook

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