sodium (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6R)-5-acetamido-6-[(2R)-2,3-di(tetradecoxy)propoxy]-3,4-bis(oxidanyl)oxan-2-yl]methoxy]-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate

Systemtic Name: sodium (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6R)-5-acetamido-6-[(2R)-2,3-di(tetradecoxy)propoxy]-3,4-bis(oxidanyl)oxan-2-yl]methoxy]-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate Openeye Name: sodium (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6R)-5-acetamido-6-[(2R)-2,3-di(tetradecoxy)propoxy]-3,4-dihydroxy-tetrahydropyran-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate CAS Name: sodium (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6R)-5-acetamido-6-[(2R)-2,3-di(tetradecoxy)propoxy]-3,4-dihydroxy-2-oxanyl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylate IUPAC Name: sodium (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6R)-5-acetamido-6-[(2R)-2,3-di(tetradecoxy)propoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate Traditional Name: sodium (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6R)-5-acetamido-6-[(2R)-2,3-dimyristyloxypropoxy]-3,4-dihydroxy-tetrahydropyran-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate Formula: C50H93N2NaO16 MolecularWeight: 1001.26699

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOCC(COC1C(C(C(C(O1)COC2(CC(C(C(O2)C(C(CO)O)O)NC(=O)C)O)C(=O)[O-])O)O)NC(=O)C)OCCCCCCCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCOC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)[O-])O)O)NC(=O)C)OCCCCCCCCCCCCCC.[Na+]

InChI

InChI=1S/C50H94N2O16.Na/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-63-33-38(64-30-28-26-24-22-20-18-16-14-12-10-8-6-2)34-65-48-43(52-37(4)55)46(60)45(59)41(67-48)35-66-50(49(61)62)31-39(56)42(51-36(3)54)47(68-50)44(58)40(57)32-53;/h38-48,53,56-60H,5-35H2,1-4H3,(H,51,54)(H,52,55)(H,61,62);/q;+1/p-1/t38-,39+,40-,41-,42-,43-,44-,45+,46-,47-,48-,50-;/m1./s1