5-Acetamido-3,5-dideoxy-6-(1,2,3-trihydroxypropyl)hex-2-ulopyranonosyl-(2->3)hexopyranosyl-(1->3)-2-acetamido-2-deoxyhexopyranosyl-(1->3)hexopyranosyl-(1->4)hexopyranose
[CAS# 52659-37-7]

Identification

• Name: 5-Acetamido-3,5-dideoxy-6-(1,2,3-trihydroxypropyl)hex-2-ulopyranonosyl-(2->3)hexopyranosyl-(1->3)-2-acetamido-2-deoxyhexopyranosyl-(1->3)hexopyranosyl-(1->4)hexopyranose
• Synonyms: 5-Acetamido-2-{[2-{[3-acetamido-2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}tetrahydro-2H-pyran-4-yl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahyd ro-2H-pyran-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carbonsäure (non-preferred name); 5-Acetamido-3,5-dideoxy-6-(1,2,3-trihydroxypropyl)hex-2-ulopyranonosyl-(2->3)hexopyranosyl-(1->3)-2-acetamido-2-deoxyhexopyranosyl-(1->3)hexopyranosyl-(1->4)hexopyranose; Acide 5-acétamido-2-{[2-{[3-acétamido-2-{[3,5-dihydroxy-2-(hydroxyméthyl)-6-{[4,5,6-trihydroxy-2-(hydroxyméthyl)tétrahydro-2H-pyran-3-yl]oxy}tétrahydro-2H-pyran-4-yl]oxy}-5-hydroxy-6-(hydroxyméthyl)té trahydro-2H-pyran-4-yl]oxy}-3,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-4-yl]oxy}-4-hydroxy-6-(1,2,3-trihydroxypropyl)tétrahydro-2H-pyrane-2-carboxylique (non-preferred name)
• Molecular Formula: C₃₇H₆₂N₂O₂₉
• Molecular Weight: 998.88
• CAS Registry Number: 52659-37-7
• SMILES: CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2C(C(OC(C2O)OC3C(C(OC(C3O)CO)OC4C(C(OC(C4O)OC5C(OC(C(C5O)O)O)CO)CO)O)NC(=O)C)CO)O)O
• InChI: 1S/C37H62N2O29/c1-9(45)38-17-11(47)3-37(36(58)59,67-29(17)19(49)12(48)4-40)68-31-22(52)15(7-43)63-35(26(31)56)65-28-18(39-10(2)46)33(61-13(5-41)20(28)50)66-30-21(51)14(6-42)62-34(25(30)55)64-27-16(8-44)60-32(57)24(54)23(27)53/h11-35,40-44,47-57H,3-8H2,1-2H3,(H,38,45)(H,39,46)(H,58,59)
• InChIKey: IOAPDMZSLCJVCR-UHFFFAOYSA-N

Properties

• Density: 1.8±0.1g/cm³ (Cal.)
• Boiling point: 1446.6±65.0°C at 760 mmHg (Cal.)
• Flash point: 828.7±34.3°C (Cal.)