[(2S,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-Disulfooxy-2,5-Bis(Sulfooxymethyl)Oxolan-2-Yl]-6-(Hydroxymethyl)-3,4,5-Trisulfooxyoxan-2-Yl] Hydrogen Sulfate
[CAS# 57680-56-5]

Identification

• Name: [(2S,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-Disulfooxy-2,5-Bis(Sulfooxymethyl)Oxolan-2-Yl]-6-(Hydroxymethyl)-3,4,5-Trisulfooxyoxan-2-Yl] Hydrogen Sulfate
• Synonyms: [(2S,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-Disulfooxy-2,5-Bis(Sulfooxymethyl)Tetrahydrofuran-2-Yl]-6-(Hydroxymethyl)-3,4,5-Trisulfooxy-Tetrahydropyran-2-Yl] Hydrogen Sulfate; [(2S,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-Disulfooxy-2,5-Bis(Sulfooxymethyl)-2-Tetrahydrofuranyl]-6-(Hydroxymethyl)-3,4,5-Trisulfooxy-2-Tetrahydropyranyl] Hydrogen Sulfate; [(2S,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-Disulfoxy-2,5-Bis(Sulfoxymethyl)Tetrahydrofuran-2-Yl]-6-Methylol-3,4,5-Trisulfoxy-Tetrahydropyran-2-Yl] Hydrogen Sulfate
• Molecular Formula: C₁₂H₂₂O₃₅S₈
• Molecular Weight: 982.76
• CAS Registry Number: 57680-56-5
• SMILES: [C@]1(O[C@@H]([C@@H](O[S](=O)(=O)O)[C@@H]1O[S](=O)(=O)O)CO[S](=O)(=O)O)([C@@]2(O[C@@H]([C@@H](O[S](=O)(=O)O)[C@H](O[S](=O)(=O)O)[C@H]2O[S](=O)(=O)O)CO)O[S](=O)(=O)O)CO[S](=O)(=O)O
• InChI: 1S/C12H22O35S8/c13-1-4-6(42-50(20,21)22)8(44-52(26,27)28)10(46-54(32,33)34)12(41-4,47-55(35,36)37)11(3-39-49(17,18)19)9(45-53(29,30)31)7(43-51(23,24)25)5(40-11)2-38-48(14,15)16/h4-10,13H,1-3H2,(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)(H,35,36,37)/t4-,5-,6-,7-,8+,9+,10-,11+,12+/m1/s1
• InChIKey: UMRJAQRWEYCTLJ-PUGXJXRHSA-N

Properties

• Density: 2.574g/cm³ (Cal.)