Molecular Identity
Safingol
(2S,3S)-2-aminooctadecane-1,3-diol
PubChem CID: 3058739
Safingol ( L-threo-sphinganine) is an amino alcohol.
2D Structure
Properties
C18H39NO2
Molecular Formula
301.50
Molecular Weight
g/mol
301.2981
Exact Mass
Da
5.8
XLogP
Above Lipinski threshold
66.5
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
3
H-Bond Acceptors
200
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCCCCCCCCC(C(CO)N)OIsomeric SMILES
SMILES: CCCCCCCCCCCCCCC[C@@H]([C@H](CO)N)OSynonyms(20)
SAFINGOL15639-50-6L-threo-DihydrosphingosineSPC-100270(2S,3S)-2-Amino-1,3-octadecanediolL-threo-2-Amino-1,3-octadecanediolDTXSID9045768L-(-)-threo-SphingnineNSC-714503OWA98U788SDTXCID7025768NSC714503KynacytesafingolumRefChem:931138
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Safingol
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