pLNH

CAS Registry Number®

64331-48-2

CAS Name

pLNH

Molecular Formula

C40H68N2O31

Molecular Mass

1072.96

Cite this Page

pLNH.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64331-48-2 (retrieved 2024-11-25) (CAS RN: 64331-48-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H68N2O31/c1-10(50)41-19-26(59)32(18(9-49)68-36(19)72-34-24(57)16(7-47)66-39(29(34)62)69-31(13(53)4-44)21(54)12(52)3-43)70-40-30(63)35(25(58)17(8-48)67-40)73-37-20(42-11(2)51)33(23(56)15(6-46)64-37)71-38-28(61)27(60)22(55)14(5-45)65-38/h3,12-40,44-49,52-63H,4-9H2,1-2H3,(H,41,50)(H,42,51)/t12-,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=JBUKBMAGFHJXMR-VGGBRENTSA-N

SMILES

O([C@H]1[C@H](NC(C)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O1)[C@@H]3[C@@H](O)[C@H](O[C@@H]4[C@@H](CO)O[C@@H](O[C@@H]5[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]5O)[C@H](NC(C)=O)[C@H]4O)O[C@H](CO)[C@@H]3O

Canonical SMILES

O=CC(O)C(O)C(OC1OC(CO)C(O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4NC(=O)C)C3O)C(O)C2NC(=O)C)C1O)C(O)CO

Other Names for this Substance

  • D-Glucose, 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-β-D-glucopyranosyl-(1→3)-O-β-D-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-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-D-glucose
  • p-Lacto-N-hexaose
  • pLNH
  • Para-lacto-N-hexaose

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