N-[(2S,3R,4R,5S,6R)-5-[(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2-[(2R,3S,4R,5R)-5-acetamido-2,4-dihydroxy-6-oxo-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-hexan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
[CAS# 110402-13-6]

Identification

• Name: N-[(2S,3R,4R,5S,6R)-5-[(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2-[(2R,3S,4R,5R)-5-acetamido-2,4-dihydroxy-6-oxo-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-hexan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
• Synonyms: N-[(2S,3R,4R,5S,6R)-5-[(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-3-Hydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-2-[(1S,2R,3R)-3-Acetamido-2-Hydroxy-1-[(1R)-1-Hydroxy-2-[(2R,3S,4R,5S,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Ethyl]-4-Keto-Butoxy]-4-Hydroxy-6-Methylol-Tetrahydropyran-3-Yl]Acetamide; N-[(2S,3R,4R,5S,6R)-5-[(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-3-Hydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]Oxan-2-Yl]Oxy-2-[(2R,3S,4R,5R)-5-Acetamido-2,4-Dihydroxy-6-Oxo-1-[(2R,3S,4R,5S,6S)-3,4,5-Trihydroxy-6-Methyl-Oxan-2-Yl]Oxy-Hexan-3-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Ethanamide; Mgmm
• Molecular Formula: C₄₈H₈₁N₃O₃₅
• Molecular Weight: 1260.17
• CAS Registry Number: 110402-13-6
• SMILES: [C@@H]([C@@H]([C@@H](NC(C)=O)C=O)O)(O[C@H]5[C@H](NC(C)=O)[C@H]([C@H](O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2O[C@@H]([C@H]([C@@H]([C@@H]2O)O)O)CO)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3NC(C)=O)O)O)CO)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)[C@H](O5)CO)O)[C@@H](CO[C@@H]6O[C@H]([C@H]([C@H]([C@@H]6O)O)O)C)O
• InChI: 1S/C48H81N3O35/c1-12-25(61)32(68)35(71)45(77-12)75-10-17(60)39(26(62)16(5-52)49-13(2)57)83-44-24(51-15(4)59)31(67)40(21(9-56)81-44)84-48-38(74)42(86-47-37(73)34(70)29(65)20(8-55)80-47)41(85-43-23(50-14(3)58)30(66)27(63)18(6-53)78-43)22(82-48)11-76-46-36(72)33(69)28(64)19(7-54)79-46/h5,12,16-48,53-56,60-74H,6-11H2,1-4H3,(H,49,57)(H,50,58)(H,51,59)/t12-,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+,41+,42+,43-,44-,45+,46-,47+,48-/m0/s1
• InChIKey: WELBOEKRIKBUAU-PKZYLINOSA-N

Properties

• Density: 1.703g/cm³ (Cal.)
• Boiling point: 1598.849°C at 760 mmHg (Cal.)
• Flash point: 920.75°C (Cal.)