Bimosiamose Disodium
[CAS# 187269-60-9]

Identification

• Name: Bimosiamose Disodium
• Synonyms: Disodium 2-[4-(2-Oxido-2-Oxo-Ethyl)-3-[2-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxyphenyl]-1-[(E)-6-[3-[2-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxyphenyl]Phenyl]Hex-3-Enyl]-1-Cyclohexa-2,4-Dienyl]Acetate; Disodium 2-[4-(2-Oxido-2-Oxoethyl)-3-[2-[[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Phenyl]-1-[(E)-6-[3-[2-[[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Phenyl]Phenyl]Hex-3-Enyl]-1-Cyclohexa-2,4-Dienyl]Acetate; Disodium 2-[4-(2-Keto-2-Oxido-Ethyl)-3-[2-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxyphenyl]-1-[(E)-6-[3-[2-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxyphenyl]Phenyl]Hex-3-Enyl]-1-Cyclohexa-2,4-Dienyl]Acetate
• Molecular Formula: C₄₆H₅₂Na₂O₁₆
• Molecular Weight: 906.89
• CAS Registry Number: 187269-60-9
• SMILES: [C@H]6(OC5=C(C1=CC(CC=C1CC([O-])=O)(CC([O-])=O)CC\C=C\CCC2=CC(=CC=C2)C4=C(O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO)C=CC=C4)C=CC=C5)O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O)CO.[Na+].[Na+]
• InChI: 1S/C46H54O16.2Na/c47-24-34-38(53)40(55)42(57)44(61-34)59-32-15-6-4-13-29(32)27-12-9-11-26(20-27)10-3-1-2-8-18-46(23-37(51)52)19-17-28(21-36(49)50)31(22-46)30-14-5-7-16-33(30)60-45-43(58)41(56)39(54)35(25-48)62-45;;/h1-2,4-7,9,11-17,20,22,34-35,38-45,47-48,53-58H,3,8,10,18-19,21,23-25H2,(H,49,50)(H,51,52);;/q;2*+1/p-2/b2-1+;;/t34-,35-,38-,39-,40+,41+,42+,43+,44+,45+,46?;;/m1../s1
• InChIKey: NOOSWTAPAALLQA-YBNBXWFISA-L

Properties

• Boiling point: 1065.2°C at 760 mmHg (Cal.)
• Flash point: 314.2°C (Cal.)