Molecules/8-hydroxy-10-[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl]-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione
8-hydroxy-10-[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl]-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione
8-hydroxy-10-[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl]-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione
Molecular Identity
8-hydroxy-10-[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl]-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione
8-hydroxy-10-[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl]-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione
PubChem CID: 5326756
2D Structure
Properties
C16H18N3O7+
Molecular Formula
364.33
Molecular Weight
g/mol
364.1145
Exact Mass
Da
-1.8
XLogP
Drug-like (Lipinski: < 5)
163
TPSA
May have limited oral absorption
7
H-Bond Donors
7
H-Bond Acceptors
548
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC2=[N+](C3=C(C=C21)C(=O)NC(=O)N3)CC(C(C(CO)O)O)O)OIsomeric SMILES
SMILES: C1=CC(=CC2=[N+](C3=C(C=C21)C(=O)NC(=O)N3)C[C@H]([C@@H]([C@H](CO)O)O)O)OSynonyms(1)
HDF
Data from PubChem (NCBI)
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Molecular Structure
8-hydroxy-10-[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl]-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione
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Drug Network
Trials and conditions connected to 8-hydroxy-10-[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl]-1H-pyrimido[4,5-b]quinolin-10-ium-2,4-dione
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