1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-nitrosooxy-6-sulfanyloxan-2-yl]methyl acetate
Molecular Identity
1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-nitrosooxy-6-sulfanyloxan-2-yl]methyl acetate
PubChem CID: 177324
2D Structure
Properties
C14H19NO11S
Molecular Formula
409.37
Molecular Weight
g/mol
409.0679
Exact Mass
Da
-0.1
XLogP
Drug-like (Lipinski: < 5)
154
TPSA
May have limited oral absorption
1
H-Bond Donors
13
H-Bond Acceptors
612
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)OCC1C(C(C(C(O1)(ON=O)S)OC(=O)C)OC(=O)C)OC(=O)CIsomeric SMILES
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@](O1)(ON=O)S)OC(=O)C)OC(=O)C)OC(=O)CSynonyms(4)
SNAG1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite177958-15-5beta-D-Glucopyranose, 1-thio-, 2,3,4,6-tetraacetate 1-nitrite
Data from PubChem (NCBI)
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Molecular Structure
1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite
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Drug Network
Trials and conditions connected to 1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite
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