D-Glucopyranose 1,2,3,4,6-Pentakis(3,4,5-Trihydroxybenzoate)
[CAS# 50678-27-8]

Identification

• Name: D-Glucopyranose 1,2,3,4,6-Pentakis(3,4,5-Trihydroxybenzoate)
• Synonyms: [(3R,4S,5R,6R)-2,3,5-Tris[(3,4,5-Trihydroxybenzoyl)Oxy]-6-[(3,4,5-Trihydroxybenzoyl)Oxymethyl]Tetrahydropyran-4-Yl] 3,4,5-Trihydroxybenzoate; 3,4,5-Trihydroxybenzoic Acid [(3R,4S,5R,6R)-2,3,5-Tris[Oxo-(3,4,5-Trihydroxyphenyl)Methoxy]-6-[[Oxo-(3,4,5-Trihydroxyphenyl)Methoxy]Methyl]-4-Tetrahydropyranyl] Ester; 3,4,5-Trihydroxybenzoic Acid [(3R,4S,5R,6R)-2,3,5-Tris[(3,4,5-Trihydroxybenzoyl)Oxy]-6-[(3,4,5-Trihydroxybenzoyl)Oxymethyl]Tetrahydropyran-4-Yl] Ester
• Molecular Formula: C₄₁H₃₂O₂₆
• Molecular Weight: 940.69
• CAS Registry Number: 50678-27-8
• SMILES: [C@@H]3(OC(=O)C1=CC(=C(O)C(=C1)O)O)[C@@H](OC(=O)C2=CC(=C(O)C(=C2)O)O)C(O[C@@H]([C@H]3OC(=O)C4=CC(=C(O)C(=C4)O)O)COC(=O)C5=CC(=C(O)C(=C5)O)O)OC(=O)C6=CC(=C(O)C(=C6)O)O
• InChI: 1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41?/m1/s1
• InChIKey: QJYNZEYHSMRWBK-PPPHSYQWSA-N

Properties

• Density: 2.051g/cm³ (Cal.)
• Boiling point: 1365.735°C at 760 mmHg (Cal.)
• Flash point: 410.408°C (Cal.)