Back to Search
Muramic Acid
CAS: 1114-41-6 | C9H17NO7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1114-41-6
Molecular Formula:
C9H17NO7
Molecular Mass:
251.23 g/mol
Names and Synonyms:
Muramic Acid
Muramic acid
D-Glucose, 2-amino-3-O-(D-1-carboxyethyl)-2-deoxy-
2-Amino-3-O-(D-1-carboxyethyl)-2-deoxy-D-glucose
D-Glucose, 2-amino-3-O-(1-carboxyethyl)-2-deoxy-, (R)-
(R)-2-Amino-3-O-(1-carboxyethyl)-2-deoxy-D-glucose
2-Aminomuramic acid
Identifiers:
SMILES:
C[C@@H](O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](N)C=O)C(=O)O
InChI:
InChI=1S/C9H17NO7/c1-4(9(15)16)17-8(5(10)2-11)7(14)6(13)3-12/h2,4-8,12-14H,3,10H2,1H3,(H,15,16)/t4-,5+,6-,7-,8-/m1/s1
Key Properties
Melting Point
153 °C (decomp)
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 | 251.23 g/mol | CAS Common Chemistry |
| 251.23499999999996 g/mol | RDKit | |
| 251.100501884 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Muramic_acid | CAS Common Chemistry |
| Canonical SMILES | O=CC(N)C(OC(C(=O)O)C)C(O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C9H17NO7/c1-4(9(15)16)17-8(5(10)2-11)7(14)6(13)3-12/h2,4-8,12-14H,3,10H2,1H3,(H,15,16)/t4-,5+,6-,7-,8-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZZHZYDXMAKUKNS-OZRXBMAMSA-N | CAS Common Chemistry |
| Melting Point | 153 °C (decomp) | CAS Common Chemistry |
| Name | Muramic acid | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 150.30999999999997 Ų | RDKit |
| LogP | -2.914999999999999 | RDKit |
| Molar Refractivity | 55.10960000000002 | RDKit |
