Benzyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside

HCID 2801971
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
13343-62-9
Standard SMILES
CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIKey
SKOZFDIGKDPQBO-RYPNDVFKSA-N
Molecular formula
C15H21NO6
Average molar mass
311.33 g/mol
Monoisotopic mass
311.13688739

Overview

See other relationships...

Names & identifiers

Preferred name
Benzyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
IUPAC
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
English name
Benzyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
Molecular formula
C15H21NO6
Molecular weight
311.33

Names & synonyms

BENZYL 2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDERefChem:566591Phenylmethyl 2-(Acetylamino)-2-deoxy-alpha-D-glucopyranoside692-881-913343-62-9N-((2S,3R,4R,5S,6R)-2-(Benzyloxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamideBenzyl 2-acetamido-2-deoxy-.alpha.-D-glucopyranosidebenzyl 2-acetamido-2-deoxy-a-D-GlucopyranosideMFCD00070371Benzyl 2-(Acetylamino)-2-Deoxy-Alpha-D-GlucopyranosideDTXSID80928117Benzyl D-GlcNAc
Show more names
α-D-GlcNAc-1→OCH2PhN-((2S,3R,4R,5S,6R)Benzyl N-acetyl-α-D-glucosaminideBenzyl-2-caetamido-2-deoxy-α-D-glucopyranosideBenzyl 2-Acetamido-2-deoxy-α-D-glucopyranosideBENZYL 2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSEBENZYL-2-ACETAMIDO-2-DESOXY-ALPHA-D-GLUCOPYRANOSIDE
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamidePhenylmethyl 2-(Acetylamino)-2-deoxy-|A-D-glucopyranosideCS-0090427SR-01000633219-1Benzyl 2-acetamido-2-deoxy-|A-D-glucopyranosideBBVPhenylmetAMY16285

Database identifiers

CAS
13343-62-9
PubChem CID
2801971
DTXSID
DTXSID80928117
ChEMBL
CHEMBL217900
EC Number
692-881-9
Nikkaji
J81.600K

Properties

Computed structural properties

XLogP
-0.7
Topological polar surface area
108 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
22

Physicochemical properties

Melting point
183 · 183-185°C
Boiling point
594.9 · 594.9±50.0 °C(Predicted)
Density
1.34 · 1.34±0.1 g/cm3(Predicted)
storage temp.
-20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility
DMSO (Slightly), Methanol (Slightly), Water (Slightly)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
29389090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant
Hazard statements
H302-H315-H319-H335

Chemistry & industry

Applications · 1 item

UsesPhenylmethyl 2-(acetylamino)-2-deoxy-α-D-glucopyranoside is a class of biochemical reagents used in glycobiology research. Glycobiology studies the structure, synthesis, biology, and evolution of sugars. It involves carbohydrate chemistry, enzymology of glycan formation and degradation, protein-glycan recognition, and the role of glycans in biological systems. This field is closely related to basic research, biomedicine, and biotechnology[1].

Upstream & downstream products

Suppliers62 total

上海康恩博医药科技有限公司17510465506 · [email protected]
临沂锎源化学科技有限公司13188735557 · [email protected]
Suzhou Yuanrui Bio-Tech Co., Ltd+86-18106132862 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

Loading…