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Acetylglucosamine
CAS: 98632-70-3 | C8H15NO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
98632-70-3
Molecular Formula:
C8H15NO6
Molecular Mass:
221.21 g/mol
Names and Synonyms:
Acetylglucosamine
D-Glucose, 2-(acetylamino)-2-deoxy-
D-Glucose, 2-acetamido-2-deoxy-
2-(Acetylamino)-2-deoxy-D-glucose
N-Acetyl-D-glucosamine
2-Acetamido-2-deoxy-D-glucose
Acetylglucosamine
N-Acetylglucosamine
N-Acetyl-2-amino-2-deoxy-D-glucose
N-Acetyl-2-amino-2-deoxyglucose
2-Acetamido-D-glucose
2-Acetamido-2-deoxyglucose
D-N-Acetylglucosamine
Marine Sweet
NSC 524344
Bio-NAG
GreenNAG
Marine Sweet YSK
MarineSweet F
Identifiers:
SMILES:
CC(O)=N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO
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
Key Properties
Melting Point
205 °C
CAS Common Chemistry
Density
1.54 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 221.21 g/mol | CAS Common Chemistry |
| 221.209 g/mol | RDKit | |
| 221.0899372 g/mol | RDKit | |
| Density | 1.54 g/cm³ | CAS Common Chemistry |
| 1.54 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=CC(NC(=O)C)C(O)C(O)C(O)CO | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=MBLBDJOUHNCFQT-LXGUWJNJSA-N | CAS Common Chemistry |
| Melting Point | 205 °C | CAS Common Chemistry |
| Name | Acetylglucosamine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 130.58 Ų | RDKit |
| LogP | -2.394699999999999 | RDKit |
| Molar Refractivity | 50.69600000000003 | RDKit |
