1-beta-D-glucopyranosyl-4-naphthalen-2-yl-1H-1,2,3-triazole
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-naphthalen-2-yltriazol-1-yl)oxane-3,4,5-triol
Molecular Identity
1-beta-D-glucopyranosyl-4-naphthalen-2-yl-1H-1,2,3-triazole
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-naphthalen-2-yltriazol-1-yl)oxane-3,4,5-triol
PubChem CID: 44620949
2D Structure
Properties
C18H19N3O5
Molecular Formula
357.40
Molecular Weight
g/mol
357.1325
Exact Mass
Da
0.4
XLogP
Drug-like (Lipinski: < 5)
121
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
7
H-Bond Acceptors
484
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C2C=C(C=CC2=C1)C3=CN(N=N3)C4C(C(C(C(O4)CO)O)O)OIsomeric SMILES
SMILES: C1=CC=C2C=C(C=CC2=C1)C3=CN(N=N3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OSynonyms(7)
CHEMBL6000031-beta-D-glucopyranosyl-4-naphthalen-2-yl-1H-1,2,3-triazole3g2kBDBM50306550Q274653961-(beta-D-Glucopyranosyl)-4-(2-naphthyl)-1,2,3-triazoleSKY
Data from PubChem (NCBI)
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Molecular Structure
1-beta-D-glucopyranosyl-4-naphthalen-2-yl-1H-1,2,3-triazole
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Drug Network
Trials and conditions connected to 1-beta-D-glucopyranosyl-4-naphthalen-2-yl-1H-1,2,3-triazole
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