[(2R,3R,4S,5R)-2-Hydroxy-5-[(2S,3R,4S,5R)-5-Hydroxy-3,4-Disulfooxyoxan-2-Yl]Oxy-3-Sulfooxyoxan-4-Yl] Hydrogen Sulfate
[CAS# 37300-21-3]

Identification

• Name: [(2R,3R,4S,5R)-2-Hydroxy-5-[(2S,3R,4S,5R)-5-Hydroxy-3,4-Disulfooxyoxan-2-Yl]Oxy-3-Sulfooxyoxan-4-Yl] Hydrogen Sulfate
• Synonyms: [(2R,3R,4S,5R)-2-Hydroxy-5-[(2S,3R,4S,5R)-5-Hydroxy-3,4-Disulfooxy-Tetrahydropyran-2-Yl]Oxy-3-Sulfooxy-Tetrahydropyran-4-Yl] Hydrogen Sulfate; [(2R,3R,4S,5R)-2-Hydroxy-5-[[(2S,3R,4S,5R)-5-Hydroxy-3,4-Disulfooxy-2-Tetrahydropyranyl]Oxy]-3-Sulfooxy-4-Tetrahydropyranyl] Hydrogen Sulfate; [(2R,3R,4S,5R)-2-Hydroxy-5-[(2S,3R,4S,5R)-5-Hydroxy-3,4-Disulfoxy-Tetrahydropyran-2-Yl]Oxy-3-Sulfoxy-Tetrahydropyran-4-Yl] Hydrogen Sulfate
• Molecular Formula: C₁₀H₁₈O₂₁S₄
• Molecular Weight: 602.48
• CAS Registry Number: 37300-21-3
• SMILES: [C@@H]2([C@H](O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O[S](O)(=O)=O)O[S](O)(=O)=O)CO[C@H]([C@@H]2O[S](O)(=O)=O)O)O[S](O)(=O)=O
• InChI: 1S/C10H18O21S4/c11-3-1-26-10(8(31-35(22,23)24)5(3)28-32(13,14)15)27-4-2-25-9(12)7(30-34(19,20)21)6(4)29-33(16,17)18/h3-12H,1-2H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1
• InChIKey: FCCNSUIJIOOXEZ-SJYYZXOBSA-N

Properties

• Density: 2.268g/cm³ (Cal.)