heptasodium [(2R,3S,4S,5R)-6-[(2R,3R,4S)-3,4-disulfonatooxy-2,5-bis(sulfonatooxymethyl)oxolan-2-yl]oxy-4-methyl-3,5-disulfonatooxy-oxan-2-yl]methyl sulfate

Systemtic Name: heptasodium [(2R,3S,4S,5R)-6-[(2R,3R,4S)-3,4-disulfonatooxy-2,5-bis(sulfonatooxymethyl)oxolan-2-yl]oxy-4-methyl-3,5-disulfonatooxy-oxan-2-yl]methyl sulfate Openeye Name: heptasodium [(2R,3S,4S,5R)-6-[(2R,3R,4S)-3,4-disulfonatooxy-2,5-bis(sulfonatooxymethyl)tetrahydrofuran-2-yl]oxy-4-methyl-3,5-disulfonatooxy-tetrahydropyran-2-yl]methyl sulfate CAS Name: heptasodium [(2R,3S,4S,5R)-6-[[(2R,3R,4S)-3,4-disulfonatooxy-2,5-bis(sulfonatooxymethyl)-2-oxolanyl]oxy]-4-methyl-3,5-disulfonatooxy-2-oxanyl]methyl sulfate IUPAC Name: heptasodium [(2R,3S,4S,5R)-6-[(2R,3R,4S)-3,4-disulfonatooxy-2,5-bis(sulfonatooxymethyl)oxolan-2-yl]oxy-4-methyl-3,5-disulfonatooxyoxan-2-yl]methyl sulfate Traditional Name: heptasodium [(2R,3S,4S,5R)-6-[(2R,3R,4S)-3,4-disulfato-2,5-bis(sulfatomethyl)tetrahydrofuran-2-yl]oxy-4-methyl-3,5-disulfato-tetrahydropyran-2-yl]methyl sulfate Formula: C13H17Na7O31S7 MolecularWeight: 1054.63887

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(OC(C1OS(=O)(=O)[O-])OC2(C(C(C(O2)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C[C@H]1[C@@H]([C@H](OC([C@@H]1OS(=O)(=O)[O-])O[C@@]2([C@@H]([C@H](C(O2)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C13H24O31S7.7Na/c1-5-8(41-48(23,24)25)6(2-35-45(14,15)16)38-12(9(5)42-49(26,27)28)40-13(4-37-47(20,21)22)11(44-51(32,33)34)10(43-50(29,30)31)7(39-13)3-36-46(17,18)19;;;;;;;/h5-12H,2-4H2,1H3,(H,14,15,16)(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31)(H,32,33,34);;;;;;;/q;7*+1/p-7/t5-,6+,7?,8-,9+,10-,11+,12?,13+;;;;;;;/m0......./s1