Basic information
- CAS
78341-33-0- Standard SMILES
N[C@@H]1[C@@H](O)[C@H](OC2O[C@H](CO)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N)[C@@H](CO)O[C@H]1O- InChIKey
RQFQJYYMBWVMQG-KAPKVSAKSA-N- Molecular formula
- C18H35N3O13
- Average molar mass
- 501.5 g/mol
- Monoisotopic mass
- 501.21698818
Names & identifiers
- Preferred name
- GlyTouCan:G11919SL
- IUPAC
- (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
- English name
- iso-Propyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
- Molecular formula
- C11H21NO6
- Molecular weight
- 263.28754
Names & synonyms
RefChem:678066GlyTouCan:G11919SLG11919SLD-Glucosaminide(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diolSCHEMBL29689438n-2-yl]oxy-6-(hydroxymethyl)oxane-2,4-diol4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxa(2R,3R,4R,5S,6R)-3-amino-5-{[(3R,4R,6R)-3-amino-5-{[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,4-diolIsopropyl N-Acetyl-β-D-glucosamineIsopropyl N-Acetyl-β-D-glucosamine (α/β-Mixture)Isopropyl N-Acetyl-β-D-glucosamine (α/β-Mixture)
Show more names
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-GLUCOPYRANOSIDE
Properties
Computed structural properties
- XLogP
- -7.6
- Topological polar surface area
- 286 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 652
Experimental & physicochemical properties
Physical DescriptionSolid
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
Pharmacology
Tissue LocationsPlatelet
Cellular LocationsCytoplasm
Metabolite PathwaysAmino Sugar Metabolism
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.
Suppliers26 total
临沂锎源化学科技有限公司13188735557 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…