1,3,4,6-Tetra-O-acetyl-2-amino-2-desoxy-ss-D-glucopyranose hydrochloride
Basic information
- CAS
26108-75-8- Standard SMILES
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)C(N)[C@@H](OC(C)=O)C1OC(C)=O.Cl- InChIKey
BQLUYAHMYOLHBX-JALBKBLRSA-N- Molecular formula
- C14H22ClNO9
- Average molar mass
- 383.78 g/mol
- Monoisotopic mass
- 383.098309
Names & identifiers
- Preferred name
- 1,3,4,6-Tetra-O-acetyl-2-amino-2-desoxy-ss-D-glucopyranose hydrochloride
- IUPAC
- [(2R,4R,6S)-3,4,6-triacetyloxy-5-aminooxan-2-yl]methyl acetate;hydrochloride
- English name
- 1,3,4,6-Tetra-O-acetyl-2-amino-2-desoxy-beta-D-glucopyranose hydrochloride
- Molecular formula
- C14H21NO9
- Molecular weight
- 347.32
Names & synonyms
DTXSID40948997AKOS0243882351,3,4,6-Tetra-O-acetyl-2-amino-2-deoxyhexopyranose--hydrogen chloride (1/1)ST510420401,3,4,6-Tetra-O-acetyl-2-amino-2-desoxy-ss-D-glucopyranose hydrochloride1,3,4,6-Tetra-O-acetyl-2-amino-2-deoxy-beta-D-threo-hexopyranose--hydrogen chloride (1/1)(2S,3R,4R,5S,6R)-6-(Acetoxymethyl)-3-aminotetrahydro-2H-pyran-2,4,5-triyl triacetate1,3,4,6-Tetra-O-acetyl-2-amino-2-1,3,4,6,-Tetra-O-Acetyl-β-D-Glucosamine1,3,4,6-Tetra-O-acetyl-2-amino-2-desoxy-D-1,3,4,6-Tetra-O-acetyl-a-D-glucosamine HCl1,3,4,5-Tetra-O-acetyl-a-D-glucosamine HCl
Show more names
2-AMINO-1,3,4,6-TETRA-O-ACETYL-2-DEOXY-Β-D-GLUCOPYRANOSE2-amino-1,3,4,6-tetra-O-acetyl-2-deoxy-β-D-glucopyranoseb-D-Glucopyranose, 2-aMino-2-deoxy-, 1,3,4,6-tetraacetate2-amino-1,3,4,6-tetra-O-acetyl-2-deoxy-beta-D-glucopyranose
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 506
Physicochemical properties
- Melting point
- 225 °C · 225°C
- Boiling point
- 429.5 · 429.5±45.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 7.57 · 7.57±0.70(Predicted)
- InChI
- InChI=1/C14H21NO9/c1-6(16)20-5-10-12(21-7(2)17)13(22-8(3)18)11(15)14(24-10)23-9(4)19/h10-14H,5,15H2,1-4H3/t10-,11-,12-,13-,14-/s3
- InChIKey
- ZRAWPYYLRZSVEU-DOSMMQPLNA-N
- SMILES
- [C@@H]1(OC(=O)C)[C@@H](COC(=O)C)O[C@@H](OC(=O)C)[C@H](N)[C@H]1OC(=O)C |&1:0,5,12,17,19,r|
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Hazard Note
- Irritant
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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Compound notes
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