Eritoran Tetrasodium
tetrasodium;[(2R,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-[[(2R,3R,4R,5S,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[[(Z)-octadec-11-enoyl]amino]-5-phosphonatooxyoxan-2-yl]oxymethyl]-3-(3-oxotetradecanoylamino)oxan-2-yl] phosphate
Molecular Identity
Eritoran Tetrasodium
tetrasodium;[(2R,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-[[(2R,3R,4R,5S,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[[(Z)-octadec-11-enoyl]amino]-5-phosphonatooxyoxan-2-yl]oxymethyl]-3-(3-oxotetradecanoylamino)oxan-2-yl] phosphate
PubChem CID: 6450173
Eritoran tetrasodium is an organic sodium salt which is the tetrasodium salt of eritoran. It contains an eritoran(4-).
2D Structure
Properties
C66H122N2Na4O19P2
Molecular Formula
1401.60
Molecular Weight
g/mol
1400.7708
Exact Mass
Da
305
TPSA
May have limited oral absorption
3
H-Bond Donors
19
H-Bond Acceptors
1870
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCCCCC(=O)CC(=O)NC1C(C(C(OC1OP(=O)([O-])[O-])COC2C(C(C(C(O2)COC)OP(=O)([O-])[O-])OCCC(CCCCCCC)OC)NC(=O)CCCCCCCCCC=CCCCCCC)O)OCCCCCCCCCC.[Na+].[Na+].[Na+].[Na+]Isomeric SMILES
SMILES: CCCCCCCCCCCC(=O)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)OP(=O)([O-])[O-])OCC[C@@H](CCCCCCC)OC)NC(=O)CCCCCCCCC/C=C\CCCCCC)O)OCCCCCCCCCC.[Na+].[Na+].[Na+].[Na+]Synonyms(20)
Eritoran tetrasodium185954-98-7E5564Eritoran tetrasodium saltFUO195TC7OB-1287E-5564CHEBI:46692E 5564RefChem:137652Alpha-D-glucopyranose,3-O-decyl-2-deoxy-6-O-(2-deoxy-3-O-((3R)-3-methoxydecyl)-6-O-methyl-2-(((11Z)-1-oxo-11-octadecenyl)amino)-4-O-phosphono-D-glucopyranosyl)-2-((1,3-dioxotetradecyl)amino)-1-(dihydrogen phosphate), Tetrasodium Salteritoran sodiumEritoran tetrasodium [USAN]B1287Eritoran tetrasodium (USAN)
Data from PubChem (NCBI)
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