Back to Search
D-Glucosaminic Acid
CAS: 3646-68-2 | C6H13NO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3646-68-2
Molecular Formula:
C6H13NO6
Molecular Mass:
195.17 g/mol
Names and Synonyms:
D-Glucosaminic Acid
D-Gluconic acid, 2-amino-2-deoxy-
Gluconic acid, 2-amino-2-deoxy-, D-
2-Amino-2-deoxy-D-gluconic acid
Glucosaminic acid
D-Glucosaminic acid
D-Glucosamic acid
NSC 37779
NSC 404265
Identifiers:
SMILES:
N[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI:
InChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)/t2-,3-,4-,5-/m1/s1
Key Properties
Melting Point
210-240 °C (decomp)
CAS Common Chemistry
Density
1.62 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 | 195.17 g/mol | CAS Common Chemistry |
| 195.171 g/mol | RDKit | |
| 195.074287136 g/mol | RDKit | |
| Density | 1.62 g/cm³ | CAS Common Chemistry |
| 1.618 g/cm3 @ Temp: -5 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(O)C(N)C(O)C(O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)/t2-,3-,4-,5-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UFYKDFXCZBTLOO-TXICZTDVSA-N | CAS Common Chemistry |
| Melting Point | 210-240 °C (decomp) | CAS Common Chemistry |
| Name | D-Glucosaminic acid | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 144.24 Ų | RDKit |
| LogP | -3.5266999999999995 | RDKit |
| Molar Refractivity | 40.71740000000002 | RDKit |
