O-2-(Acetylamino)-2-deoxy-α-D-galactopyranosyl-(1→3)-O-[6-deoxy-α-L-galactopyranosyl-(1→2)]-O-β-D-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-D-glucose

CAS Registry Number®

88972-42-3

CAS Name

O-2-(Acetylamino)-2-deoxy-α-D-galactopyranosyl-(1→3)-O-[6-deoxy-α-L-galactopyranosyl-(1→2)]-O-β-D-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-D-glucose

Molecular Formula

C40H68N2O30

Molecular Mass

1056.96

Cite this Page

O-2-(Acetylamino)-2-deoxy-α-D-galactopyranosyl-(1→3)-O-[6-deoxy-α-L-galactopyranosyl-(1→2)]-O-β-D-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-D-glucose.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88972-42-3 (retrieved 2024-11-25) (CAS RN: 88972-42-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H68N2O30/c1-10-21(53)28(60)29(61)38(63-10)72-35-34(71-36-19(41-11(2)49)27(59)23(55)15(6-45)64-36)26(58)18(9-48)67-40(35)69-32-20(42-12(3)50)37(65-16(7-46)24(32)56)70-33-25(57)17(8-47)66-39(30(33)62)68-31(14(52)5-44)22(54)13(51)4-43/h4,10,13-40,44-48,51-62H,5-9H2,1-3H3,(H,41,49)(H,42,50)/t10-,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-,39-,40-/m0/s1

InChIKey

InChIKey=UCLWMVLXXHCQHW-TXMWIBHQSA-N

SMILES

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

Canonical SMILES

O=CC(O)C(O)C(OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4NC(=O)C)C3OC5OC(C)C(O)C(O)C5O)C2NC(=O)C)C1O)C(O)CO

Other Names for this Substance

  • D-Glucose, O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1→3)-O-[6-deoxy-α-L-galactopyranosyl-(1→2)]-O-β-D-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-
  • O-2-(Acetylamino)-2-deoxy-α-D-galactopyranosyl-(1→3)-O-[6-deoxy-α-L-galactopyranosyl-(1→2)]-O-β-D-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-D-glucose
  • Blood group A antigen hexose type 1

Deleted or Replaced CAS Registry Numbers

1254178-31-8

CAS INSIGHTSTM
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