Sibofimloc
1-[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]ethanone
Molecular Identity
Sibofimloc
1-[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4'-piperidine]-1'-yl]ethanone
PubChem CID: 76684239
2D Structure
Properties
C35H39NO11
Molecular Formula
649.70
Molecular Weight
g/mol
649.2523
Exact Mass
Da
-0.8
XLogP
Drug-like (Lipinski: < 5)
201
TPSA
May have limited oral absorption
8
H-Bond Donors
11
H-Bond Acceptors
1190
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)N1CCC2(CC1)C3=C(C=CC(=C3)C#CC4C(C(C(C(O4)CO)O)O)O)C5=C2C=C(C=C5)C#CC6C(C(C(C(O6)CO)O)O)OIsomeric SMILES
SMILES: CC(=O)N1CCC2(CC1)C3=C(C=CC(=C3)C#C[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=C2C=C(C=C5)C#C[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)OSynonyms(20)
Sibofimloc1616113-45-1VRT-1353385EB801800OF00QZC4TAK018TAK-018EB-80181-(2,7-Bis(2,6-anhydro-7,8-dideoxy-D-glycero-D-manno-oct-7-ynitol-8-yl)spiro(fluorene-9,4'-piperidin)-1'-yl)ethan-1-one8,8'-(1'-Acetylspiro(9H-fluorene-9,4'-piperidine)-2,7-diyl)bis(2,6-anhydro-7,8-dideoxy-D-glycero-D-manno-oct-7-ynitol)D-Glycero-D-manno-oct-7-ynitol, 8,8'-(1'-acetylspiro(9H-fluorene-9,4'-piperidine)-2,7-diyl)bis(2,6-anhydro-7,8-dideoxy-sibofimlocum1-[2,7-bis(2,6-anhydro-7,8-dideoxy-D-glycero-D-manno-oct-7-ynitol-8-yl)spiro[fluorene-9,4'-piperidin]-1'-yl]ethan-1-oneRefChem:1098506Antibiotic-202
Data from PubChem (NCBI)
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