Molecules/(5S,6R,7S,8S,8aR)-3-(octylamino)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol
(5S,6R,7S,8S,8aR)-3-(octylamino)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol
(5S,6R,7S,8S,8aR)-3-(octylamino)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol
Molecular Identity
(5S,6R,7S,8S,8aR)-3-(octylamino)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol
(5S,6R,7S,8S,8aR)-3-(octylamino)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol
PubChem CID: 25220910
2D Structure
Properties
C15H30N2O5
Molecular Formula
318.41
Molecular Weight
g/mol
318.2155
Exact Mass
Da
0.6
XLogP
Drug-like (Lipinski: < 5)
105
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
7
H-Bond Acceptors
333
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCNC1N2C(CO1)C(C(C(C2O)O)O)OIsomeric SMILES
SMILES: CCCCCCCCNC1N2[C@H](CO1)[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)OSynonyms(2)
SCHEMBL30691855AM3
Data from PubChem (NCBI)
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Molecular Structure
(5S,6R,7S,8S,8aR)-3-(octylamino)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol
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Drug Network
Trials and conditions connected to (5S,6R,7S,8S,8aR)-3-(octylamino)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol
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