Lacto-N-difucohexaose

CAS Registry Number®

16789-38-1

CAS Name

Lacto-N-difucohexaose

Molecular Formula

C38H65NO29

Molecular Mass

999.91

Cite this Page

Lacto-N-difucohexaose.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16789-38-1 (retrieved 2024-11-24) (CAS RN: 16789-38-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H65NO29/c1-9-18(48)23(53)26(56)35(59-9)65-30-16(8-44)63-34(67-32-22(52)15(7-43)61-37(28(32)58)64-29(13(47)5-41)20(50)12(46)4-40)17(39-11(3)45)31(30)66-38-33(25(55)21(51)14(6-42)62-38)68-36-27(57)24(54)19(49)10(2)60-36/h4,9-10,12-38,41-44,46-58H,5-8H2,1-3H3,(H,39,45)/t9-,10-,12-,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-/m0/s1

InChIKey

InChIKey=OQIUPKPUOLIHHS-URTONSIPSA-N

SMILES

O([C@H]1[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O2)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](O[C@@H]([C@@H]([C@H](C=O)O)O)[C@@H](CO)O)O[C@H](CO)[C@@H]3O)[C@@H]1NC(C)=O)[C@H]4[C@H](O[C@H]5[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O5)[C@@H](O)[C@@H](O)[C@@H](CO)O4

Canonical SMILES

O=CC(O)C(O)C(OC1OC(CO)C(O)C(OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(OC4OC(CO)C(O)C(O)C4OC5OC(C)C(O)C(O)C5O)C2NC(=O)C)C1O)C(O)CO

Other Names for this Substance

  • D-Glucose, O-6-deoxy-α-L-galactopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→3)-O-[6-deoxy-α-L-galactopyranosyl-(1→4)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-
  • Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→3)-O-[6-deoxy-α-L-galactopyranosyl-(1→4)]-O-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-, D-
  • Lacto-N-difucohexaose I
  • D-Glucose, O-6-deoxy-α-L-galactopyranosyl-(1→4)-O-[O-6-deoxy-α-L-galactopyranosyl-(1→2)-β-D-galactopyranosyl-(1→3)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-
  • O-6-Deoxy-α-L-galactopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→3)-O-[6-deoxy-α-L-galactopyranosyl-(1→4)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-D-glucose

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Deleted or Replaced CAS Registry Numbers

26676-92-6, 83290-83-9, 85881-95-4, 909891-56-1

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