116265-56-6
methyl 6-[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]hexanoate
Molecular Identity
116265-56-6
methyl 6-[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]hexanoate
PubChem CID: 451514
2D Structure
Properties
C13H25NO5
Molecular Formula
275.34
Molecular Weight
g/mol
275.1733
Exact Mass
Da
-0.5
XLogP
Drug-like (Lipinski: < 5)
90.2
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
286
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(8)
116265-56-6N-(5-Carboxymethyl-1-pentyl)-1,5-dideoxy-1,5-imino-L-fucitolLFT1-Piperidinehexanoic acid, 3,4,5-trihydroxy-2-methyl-, methyl ester, (2S-(2alpha3alpha,4alpha,5beta))-methyl 6-[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]hexanoateDTXSID20151326methyl 6-[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-methyl-1-piperidyl]hexanoate1-Piperidinehexanoic acid, 3,4,5-trihydroxy-2-methyl-, methyl ester, [2S-(2.alpha.3.alpha.,4.alpha.,5.beta.)]-
Data from PubChem (NCBI)
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