N-[(2R,3R,4R,5S,6R)-4-{[(2S,3R,4S,5S,6R)-5-{[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-3-(hydroxymethyl)-6-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy -6-methyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxo-3-hexanyl]oxy}tetrahydro-2H-pyran-4-y l]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide
[CAS# 88972-42-3]

Identification

• Name: N-[(2R,3R,4R,5S,6R)-4-{[(2S,3R,4S,5S,6R)-5-{[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-3-(hydroxymethyl)-6-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy -6-methyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxo-3-hexanyl]oxy}tetrahydro-2H-pyran-4-y l]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide
• Molecular Formula: C₄₀H₆₈N₂O₃₀
• Molecular Weight: 1056.96
• CAS Registry Number: 88972-42-3
• SMILES: O=C[C@H](O)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](OC4O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H]3CO)[C@H]4NC(C)=O)[C@H]5O)[C@H](O)CO
• InChI: 1S/C40H68N2O30/c1-10-21(53)28(60)29(61)38(63-10)72-40-34(70-36-19(41-11(2)49)27(59)24(56)16(7-46)64-36)22(54)13(4-43)35(71-40)68-32-20(42-12(3)50)37(65-17(8-47)25(32)57)69-33-26(58)18(9-48)66-39(30(33)62)67-31(15(52)6-45)23(55)14(51)5-44/h5,10,13-40,43,45-48,51-62H,4,6-9H2,1-3H3,(H,41,49)(H,42,50)/t10-,13+,14-,15+,16+,17+,18+,19+,20+,21+,22-,23+,24-,25+,26-,27+,28+,29-,30+,31+,32+,33-,34-,35-,36?,37?,38-,39-,40+/m0/s1
• InChIKey: HPEZEWDVZCZHFV-DVLLRCRMSA-N

Properties

• Density: 1.708g/cm³ (Cal.)
• Boiling point: 1440.848°C at 760 mmHg (Cal.)
• Flash point: 825.195°C (Cal.)