Isopropyl 2-acetamido-2-deoxy-b-D-glucopyranoside
Basic information
- CAS
78341-33-0- Standard SMILES
CC(=O)N[C@H]1[C@H](OC(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
CSHJQINNMOQHDM-ISUQUUIWSA-N- Molecular formula
- C11H21NO6
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.13688739
Names & identifiers
- Preferred name
- Isopropyl 2-acetamido-2-deoxy-b-D-glucopyranoside
- IUPAC
- N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide
- English name
- iso-Propyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
- Molecular formula
- C11H21NO6
- Molecular weight
- 263.28754
Names & synonyms
78341-33-0Isopropyl 2-acetamido-2-deoxy-b-D-glucopyranosideN-((2R,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-isopropoxytetrahydro-2H-pyran-3-yl)acetamideMFCD08703886N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamideorb2941585Propan-2-yl 2-acetamido-2-deoxy-beta-D-glucopyranosideSCHEMBL24936522DTXSID30428814TSW-00446AKOS002687845MI02488
Show more names
Isopropyl N-Acetyl-β-D-glucosamineIsopropyl N-Acetyl-β-D-glucosamine (α/β-Mixture)Isopropyl N-Acetyl-β-D-glucosamine (α/β-Mixture)Isopropyl2-acetamido-2-deoxy-b-D-glucopyranosideIsopropyl 2-Acetamido-2-deoxy-β-D-glucopyranosideIsopropyl N-Acetyl-β-D-glucosamine (a/-β-Mixture)ISO-PROPYL 2-ACETAMIDO-2-DEOXY-SS-D-GLUCOPYRANOSIDEiso-Propyl 2-acetamido-2-deoxy-beta-D-glucopyranoside1-Methylethyl 2-(AcetylaMino)-2-deoxy-β-D-glucopyranosideβ-D-Glucopyranoside, 1-methylethyl 2-(acetylamino)-2-deoxy-
E832481-Methylethyl 2-(AcetylaMino)-2-deoxy-|?-D-glucopyranosideN-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-isopropoxy-tetrahydropyran-3-yl]acetamide
Database identifiers
- CAS
78341-33-0- PubChem CID
- 7573802
- DTXSID
DTXSID30428814- Nikkaji
- J1.152.939I
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 178 °C · 178 °C
- Boiling point
- 520.1 · 520.1±50.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 13.02 · 13.02±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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 statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesISO-PROPYL 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE can be used in the chemical synthesis of N-acetylglucosamine derivatives as glycosyl acceptors by the Mesorhizobium loti chitin oligosaccharide synthase NodC.
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Compound notes
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