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Substance Name: alpha-D-Glucopyranose, O-(N-acetyl-alpha-neuraminosyl)-(2.3)-O-beta-D-galactopyranosyl-(1.4)-, monoammonium salt
RN: 97416-76-7
InChIKey: ZORDZHRGSMIZPA-BBQKPCPVSA-N

Molecular Formula

  • C23-H39-N-O19.H3-N

Molecular Weight

  • 650.5798
 
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Names and Synonyms

Synonym

  • EINECS 306-823-4

Systematic Name

  • alpha-D-Glucopyranose, O-(N-acetyl-alpha-neuraminosyl)-(2.3)-O-beta-D-galactopyranosyl-(1.4)-, monoammonium salt

Registry Numbers

CAS Registry Number

  • 97416-76-7

System Generated Number

  • 0097416767

Molecular Formulas

Molecular Formula

  • C23-H39-N-O19.H3-N

Molecular Formula Fragments

  • C23-H39-N-O19
  • COMPONENT
  • H3-N

Structure Descriptors

InChI

1S/C23H39NO19.H3N/c1-6(28)24-11-7(29)2-23(22(37)38,42-18(11)12(31)8(30)3-25)43-19-13(32)9(4-26)40-21(16(19)35)41-17-10(5-27)39-20(36)15(34)14(17)33;/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38);1H3/t7-,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19-,20+,21-,23-;/m0./s1

InChIKey

ZORDZHRGSMIZPA-BBQKPCPVSA-N

Smiles

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O.N