Dosmalfate
[CAS# 122312-55-4]

Identification

• Name: Dosmalfate
• Synonyms: [(2R,3R,4S,5R,6S)-6-[4-Keto-2-(4-Methoxy-3-Sulfoxy-Phenyl)-5-Sulfoxy-Chromen-7-Yl]Oxy-2-[[(2R,3R,4R,5S,6S)-6-Methyl-3,4,5-Trisulfoxy-Tetrahydropyran-2-Yl]Oxymethyl]-4,5-Disulfoxy-Tetrahydropyran-3-Yl] Hydrogen Sulfate; [(2R,3R,4S,5R,6S)-6-[2-(4-Methoxy-3-Sulfooxy-Phenyl)-4-Oxo-5-Sulfooxy-Chromen-7-Yl]Oxy-2-[[(2R,3R,4R,5S,6S)-6-Methyl-3,4,5-Trisulfooxy-Tetrahydropyran-2-Yl]Oxymethyl]-4,5-Disulfooxy-Tetrahydropyran-3-Yl] Hydrogen Sulfate; [(2R,3R,4S,5R,6S)-6-[[2-(4-Methoxy-3-Sulfooxyphenyl)-4-Oxo-5-Sulfooxy-7-Chromenyl]Oxy]-2-[[(2R,3R,4R,5S,6S)-6-Methyl-3,4,5-Trisulfooxy-2-Tetrahydropyranyl]Oxymethyl]-4,5-Disulfooxy-3-Tetrahydropyranyl] Hydrogen Sulfate
• Molecular Formula: C₂₈H₃₂O₃₉S₈
• Molecular Weight: 1249.02
• CAS Registry Number: 122312-55-4
• SMILES: [C@@H]5(OC3=CC2=C(C(C=C(C1=CC=C(OC)C(=C1)O[S](O)(=O)=O)O2)=O)C(=C3)O[S](O)(=O)=O)O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O[S](O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@H]4O[S](O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@H](O[S](O)(=O)=O)[C@H]5O[S](O)(=O)=O
• InChI: 1S/C28H32O39S8/c1-10-21(62-70(36,37)38)23(64-72(42,43)44)25(66-74(48,49)50)27(56-10)55-9-19-22(63-71(39,40)41)24(65-73(45,46)47)26(67-75(51,52)53)28(59-19)57-12-6-17-20(18(7-12)61-69(33,34)35)13(29)8-15(58-17)11-3-4-14(54-2)16(5-11)60-68(30,31)32/h3-8,10,19,21-28H,9H2,1-2H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
• InChIKey: YCGANVWZEQAZHF-YFAPSIMESA-N

Properties

• Density: 2.244g/cm³ (Cal.)