N-acetyl-D-glucosamine 6-sulfate
[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl hydrogen sulfate
Molecular Identity
N-acetyl-D-glucosamine 6-sulfate
[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl hydrogen sulfate
PubChem CID: 440235
N-acetyl-beta-D-glucosamine 6-sulfate is an amino monosaccharide that consists of N-acetyl-beta-D-glucosamine substituted at position 6 by a sulfo group. It is a glucosamine sulfate and an amino monosaccharide. It is functionally related to a N-acetyl-D-glucosamine.
2D Structure
Properties
C8H15NO9S
Molecular Formula
301.27
Molecular Weight
g/mol
301.0468
Exact Mass
Da
-3.5
XLogP
Drug-like (Lipinski: < 5)
171
TPSA
May have limited oral absorption
5
H-Bond Donors
9
H-Bond Acceptors
418
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)O)OIsomeric SMILES
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COS(=O)(=O)O)O)OSynonyms(20)
N-Acetyl-D-glucosamine 6-sulfateGlyTouCan:G17441VERefChem:1048438G17441VEN-Acetylglucosamine 6-sulfateN-acetyl-beta-D-glucosamine 6-sulfate2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranoseNGS(6S)GlcNAcbeta(6S)GlcNAcbN-Acetylglucosamine 6-sulphateSCHEMBL30089326CHEBI:28132N-Acetylglucosamine 6-sulfic acidN-Acetyl-D-glucosamine 6-sulphate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to N-acetyl-D-glucosamine 6-sulfate
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