Basic information
- Standard SMILES
CC(=O)N[C@H]1[C@H](O[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
PJAADWAJCPITFH-BTQUHPNKSA-N- Molecular formula
- C14H27NO11
- Average molar mass
- 385.36 g/mol
- Monoisotopic mass
- 385.15841068
Overview
Beta-D-GlcpNAc-(1->3)-D-Gal-OH is a glycosyl alditol that is D-galactitol in which the hydroxy group at position 3 has been converted to the corresponding 2-acetamido-2-deoxy-beta-D-glucopyranoside. It is a member of acetamides and a glycosyl alditol. It is functionally related to a galactitol and a N-acetyl-beta-D-glucosamine.
Names & identifiers
- Preferred name
- 2-Acetamido-2-deoxyglucosylgalactitol
- IUPAC
- N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-3-yl]acetamide
- English name
- 2-acetamido-2-deoxyglucosylgalactitol
- Molecular weight
- 0
Names & synonyms
2-Acetamido-2-deoxyglucosylgalactitol2-Adgg76319-51-22-Acetamido-2-deoxyglucosyl-(1-3)-galactitolD-Galactitol, 3-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-RefChem:909464GlyTouCan:G14023WKG14023WKN-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-3-yl]acetamideDTXSID60997684CHEBI:147553beta-D-GlcpNAc-(1->3)-D-Gal-OH
Show more names
beta-D-GlcpNAc-(1->3)-D-galactitol3-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-D-galactitol3-O-{2-Deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl}hexitol3-O-{2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}-D-galactitolWURCS=2.0/2,2,1/[h2112h][a2122h-1b_1-5_2*NCC/3=O]/1-2/a3-b1
Database identifiers
- CAS
76319-51-2- PubChem CID
- 195923
- DTXSID
DTXSID60997684- ChEBI
CHEBI:147553
Properties
Computed structural properties
- XLogP
- -5.2
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 439
Chemistry & industry
Additional notes
DefinitionChEBI: Beta-D-GlcpNAc-(1->3)-D-Gal-OH is a glycosyl alditol that is D-galactitol in which the hydroxy group at position 3 has been converted to the corresponding 2-acetamido-2-deoxy-beta-D-glucopyranoside. It is a member of acetamides and a glycosyl alditol. It is functionally related to a N-acetyl-beta-D-glucosamine and a galactitol.
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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