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Molecule
2-[(2-Azidoacetyl)Amino]-2-Deoxy-D-Galactose
CAS: 869186-83-4 · C8H14N4O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 869186-83-4
- Molecular Formula
- C8H14N4O6
- Molecular Mass
- 262.22 g/mol
Identifiers
CAS Registry Number
869186-83-4
SMILES
[N-]=[N+]=NCC(O)=N[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChI Key
SBNIXWHTKPFIQR-LAHCRNKXSA-N
InChI
InChI=1S/C8H14N4O6/c9-12-10-1-6(16)11-4(2-13)7(17)8(18)5(15)3-14/h2,4-5,7-8,14-15,17-18H,1,3H2,(H,11,16)/t4-,5+,7+,8-/m0/s1
Names and Synonyms
- 2-[(2-Azidoacetyl)Amino]-2-Deoxy-D-Galactose Systematic Name
- D-Galactose, 2-[(2-azidoacetyl)amino]-2-deoxy- Synonym
- D-Galactose, 2-[(azidoacetyl)amino]-2-deoxy- Synonym
- 2-[(2-Azidoacetyl)amino]-2-deoxy-D-galactose Synonym
- N-Azidoacetylgalactosamine Synonym
- GalNAz Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 262.22 g/mol | CAS Common Chemistry |
| 262.222 g/mol | RDKit | |
| Canonical SMILES | [N-]=[N+]=NCC(=O)NC(C=O)C(O)C(O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C8H14N4O6/c9-12-10-1-6(16)11-4(2-13)7(17)8(18)5(15)3-14/h2,4-5,7-8,14-15,17-18H,1,3H2,(H,11,16)/t4-,5+,7+,8-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SBNIXWHTKPFIQR-LAHCRNKXSA-N | CAS Common Chemistry |
| Name | 2-[(2-Azidoacetyl)amino]-2-deoxy-D-galactose | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 179.34 Ų | RDKit |
| 179.09 Ų | chempirical lib | |
| LogP | -2.1043 | RDKit |
| Molar Refractivity | 59.035000000000025 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 262.091334168 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 262.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H14N4O6.
