tetrasodium [(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5R,6R)-2-methoxy-3,5-bis(oxidanyl)-6-(phosphonatooxymethyl)oxan-4-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl phosphate

Systemtic Name: tetrasodium [(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5R,6R)-2-methoxy-3,5-bis(oxidanyl)-6-(phosphonatooxymethyl)oxan-4-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl phosphate Openeye Name: tetrasodium [(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-methoxy-6-(phosphonatooxymethyl)tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl phosphate CAS Name: tetrasodium [(2R,3S,4S,5R,6S)-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-methoxy-6-(phosphonatooxymethyl)-4-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl phosphate IUPAC Name: tetrasodium [(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-methoxy-6-(phosphonatooxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl phosphate Traditional Name: tetrasodium [(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-methoxy-6-(phosphatomethyl)tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl phosphate Formula: C13H22Na4O17P2 MolecularWeight: 604.210182

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)COP(=O)([O-])[O-])O)OC2C(C(C(C(O2)COP(=O)([O-])[O-])O)O)O)O.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C13H26O17P2.4Na/c1-25-12-10(18)11(7(15)5(28-12)3-27-32(22,23)24)30-13-9(17)8(16)6(14)4(29-13)2-26-31(19,20)21;;;;/h4-18H,2-3H2,1H3,(H2,19,20,21)(H2,22,23,24);;;;/q;4*+1/p-4/t4-,5-,6-,7-,8+,9-,10-,11+,12-,13+;;;;/m1..../s1