Elx-02
(2R,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-5-[(1R)-1-aminoethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxy-2-[(1R)-1-hydroxyethyl]oxane-3,4-diol
Molecular Identity
Elx-02
(2R,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-5-[(1R)-1-aminoethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxy-2-[(1R)-1-hydroxyethyl]oxane-3,4-diol
PubChem CID: 71455937
2D Structure
Properties
C19H38N4O10
Molecular Formula
482.50
Molecular Weight
g/mol
482.2588
Exact Mass
Da
-5.5
XLogP
Drug-like (Lipinski: < 5)
262
TPSA
May have limited oral absorption
10
H-Bond Donors
14
H-Bond Acceptors
652
Complexity
SMILES
Canonical SMILES
SMILES: CC(C1C(C(C(O1)OC2C(C(CC(C2OC3C(C(C(C(O3)C(C)O)O)O)N)N)N)O)O)O)NIsomeric SMILES
SMILES: C[C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](C[C@@H]([C@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)[C@@H](C)O)O)O)N)N)N)O)O)O)NSynonyms(15)
ELX-021375073-95-2RefChem:136562(2R,3S,4R,5R,6S)-5-amino-6-(((1R,2R,3S,4R,6S)-4,6-diamino-2-(((2S,3R,4S,5R)-5-((1R)-1-aminoethyl)-3,4-dihydroxyoxolan-2-yl)oxy)-3-hydroxycyclohexyl)oxy)-2-((1R)-1-hydroxyethyl)oxane-3,4-diol(2R,3S,4R,5R,6S)-5-amino-6-((1R,2R,3S,4R,6S)-4,6-diamino-2-((2S,3R,4S,5R)-5-((1S)-1-aminoethyl)-3,4-dihydroxyoxolan-2-yl)oxy-3-hydroxycyclohexyl)oxy-2-((1R)-1-hydroxyethyl)oxane-3,4-diolorb1697324CHEMBL2220482SCHEMBL29380867(R)-ELX-02GLXC-22456AKOS040751672DB15080CS-0928115T31616(2R,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-5-[(1R)-1-aminoethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxy-2-[(1R)-1-hydroxyethyl]oxane-3,4-diol
Data from PubChem (NCBI)
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Drug Network
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