Lacto-N-neohexaose

CAS Registry Number®

64003-52-7

CAS Name

Lacto-N-neohexaose

Molecular Formula

C40H68N2O31

Molecular Mass

1072.96

Cite this Page

Lacto-N-neohexaose.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=36824-93-8 (retrieved 2024-11-13) (CAS RN: 64003-52-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

SMILES

O([C@H]1[C@H](NC(C)=O)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O1)[C@H]3[C@@H](O)[C@@H](CO[C@H]4[C@H](NC(C)=O)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@@H](CO)O4)O[C@@H](O[C@@H]([C@@H]([C@H](C=O)O)O)[C@@H](CO)O)[C@@H]3O

Canonical SMILES

O=CC(O)C(O)C(OC1OC(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2NC(=O)C)C(O)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4NC(=O)C)C1O)C(O)CO

Other Names for this Substance

  • D-Glucose, O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-[O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-O-β-D-galactopyranosyl-(1→4)-
  • O-β-D-Galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-[O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-O-β-D-galactopyranosyl-(1→4)-D-glucose
  • Lacto-N-neohexaose

Deleted or Replaced CAS Registry Numbers

36824-93-8

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles