Disialyllacto-N-tetraose

CAS Registry Number®

61278-38-4

CAS Name

Disialyllacto-N-tetraose

Molecular Formula

C48H79N3O37

Molecular Mass

1290.14

Cite this Page

Disialyllacto-N-tetraose.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=61278-38-4 (retrieved 2024-12-23) (CAS RN: 61278-38-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H79N3O37/c1-13(58)49-25-16(61)4-47(45(75)76,86-38(25)29(68)19(64)7-53)79-12-24-33(72)37(27(51-15(3)60)42(82-24)85-40-31(70)22(10-56)80-43(34(40)73)83-36(21(66)9-55)28(67)18(63)6-52)84-44-35(74)41(32(71)23(11-57)81-44)88-48(46(77)78)5-17(62)26(50-14(2)59)39(87-48)30(69)20(65)8-54/h6,16-44,53-57,61-74H,4-5,7-12H2,1-3H3,(H,49,58)(H,50,59)(H,51,60)(H,75,76)(H,77,78)/t16-,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-,47+,48-/m0/s1

InChIKey

InChIKey=BTDPEAPRLHRFIA-VYZFFVDYSA-N

SMILES

O([C@@]1(C(O)=O)O[C@@]([C@@H]([C@@H](CO)O)O)([C@H](NC(C)=O)[C@@H](O)C1)[H])[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](NC(C)=O)[C@H](O[C@@H]4[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]4O)O[C@H](CO[C@@]5(C(O)=O)O[C@@]([C@@H]([C@@H](CO)O)O)([C@H](NC(C)=O)[C@@H](O)C5)[H])[C@H]3O)O[C@H](CO)[C@@H]2O

Canonical SMILES

O=CC(O)C(O)C(OC1OC(CO)C(O)C(OC2OC(COC3(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(=O)O)C(O)C(OC4OC(CO)C(O)C(OC5(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C5)C(=O)O)C4O)C2NC(=O)C)C1O)C(O)CO

Other Names for this Substance

  • D-Glucose, O-(N-acetyl-α-neuraminosyl)-(2→6)-O-[O-(N-acetyl-α-neuraminosyl)-(2→3)-β-D-galactopyranosyl-(1→3)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-
  • O-(N-Acetyl-α-neuraminosyl)-(2→6)-O-[O-(N-acetyl-α-neuraminosyl)-(2→3)-β-D-galactopyranosyl-(1→3)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-D-glucose
  • Disialyllacto-N-tetraose
  • Di-N-Acetylneuraminosyllacto-N-tetraose

Deleted or Replaced CAS Registry Numbers

19496-32-3, 56744-63-9, 1254178-07-8

CAS INSIGHTSTM
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