Lacto-N-difucohexaose II

CAS Registry Number®

62258-12-2

CAS Name

Lacto-N-difucohexaose II

Molecular Formula

C38H65NO29

Molecular Mass

999.91

Cite this Page

Lacto-N-difucohexaose II.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=62258-12-2 (retrieved 2024-11-24) (CAS RN: 62258-12-2).  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)22(52)25(55)35(59-9)64-29(12(46)4-40)30(13(47)5-41)65-38-28(58)33(21(51)15(7-43)62-38)68-34-17(39-11(3)45)32(67-37-27(57)24(54)20(50)14(6-42)61-37)31(16(8-44)63-34)66-36-26(56)23(53)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=QNSWVQWPVUZACH-XCVMNONQSA-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](O[C@H]4[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O4)[C@H](C=O)O)[C@@H](CO)O)O[C@H](CO)[C@@H]3O)[C@@H]1NC(C)=O)[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=CC(O)C(OC1OC(C)C(O)C(O)C1O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(OC5OC(CO)C(O)C(O)C5O)C3NC(=O)C)C2O)C(O)CO

Other Names for this Substance

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

View All

Deleted or Replaced CAS Registry Numbers

176022-16-5, 909891-59-4, 1456534-60-3

CAS INSIGHTSTM
Hourglass and a clock