Trifucosyllacto-N-hexaose

CAS Registry Number®

116883-09-1
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CAS Name

Trifucosyllacto-N-hexaose

Molecular Formula

C58H98N2O43

Molecular Mass

1511.39

Cite this Page

Trifucosyllacto-N-hexaose.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=116883-09-1 (retrieved 2024-05-02) (CAS RN: 116883-09-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C58H98N2O43/c1-13-27(71)34(78)39(83)53(89-13)98-46-23(11-66)95-52(26(60-17(5)68)48(46)101-58-50(38(82)32(76)21(9-64)93-58)103-55-41(85)36(80)29(73)15(3)91-55)102-49-33(77)24(96-57(43(49)87)97-44(19(70)7-62)30(74)18(69)6-61)12-88-51-25(59-16(4)67)47(100-54-40(84)35(79)28(72)14(2)90-54)45(22(10-65)94-51)99-56-42(86)37(81)31(75)20(8-63)92-56/h6,13-15,18-58,62-66,69-87H,7-12H2,1-5H3,(H,59,67)(H,60,68)/t13-,14-,15-,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+,49-,50+,51+,52-,53-,54-,55-,56-,57-,58-/m0/s1

InChIKey

InChIKey=YOTBLRKYLWEPOA-YNFWNSFPSA-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]4[C@H](NC(C)=O)[C@@H](O[C@H]5[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O5)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@H](CO)O4)[C@@H]3O)[C@@H]1NC(C)=O)[C@H]7[C@H](O[C@H]8[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O8)[C@@H](O)[C@@H](O)[C@@H](CO)O7

Canonical SMILES

O=CC(O)C(O)C(OC1OC(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(OC4OC(C)C(O)C(O)C4O)C2NC(=O)C)C(O)C(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(OC7OC(CO)C(O)C(O)C7OC8OC(C)C(O)C(O)C8O)C5NC(=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-[O-6-deoxy-α-L-galactopyranosyl-(1→3)-O-[β-D-galactopyranosyl-(1→4)]-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-O-β-D-galactopyranosyl-(1→4)-
  • 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-[O-6-deoxy-α-L-galactopyranosyl-(1→3)-O-[β-D-galactopyranosyl-(1→4)]-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-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-[O-6-deoxy-α-L-galactopyranosyl-(1→3)-O-[β-D-galactopyranosyl-(1→4)]-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-O-β-D-galactopyranosyl-(1→4)-D-glucose
  • Trifucosyllacto-N-hexaose

Deleted or Replaced CAS Registry Numbers

659748-80-8, 176325-06-7

CAS INSIGHTSTM
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