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Substance Name: Lacto-N-difucohexose II
RN: 62258-12-2
InChIKey: QNSWVQWPVUZACH-XCVMNONQSA-N

Molecular Formula

  • C38-H65-N-O29

Molecular Weight

  • 999.909
 
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Names and Synonyms

Name of Substance

  • Lacto-N-difucohexose II

Synonym

  • Lndfh-II

Systematic Name

  • D-Glucose, O-6-deoxy-alpha-L-galactopyranosyl-(1-3)-O-(O-6-deoxy-alpha-L-galactopyranosyl-(1-4)-O-(beta-D-galactopyranosyl-(1-3))-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-3)-beta-D-galactopyranosyl-(1-4))-

Registry Numbers

CAS Registry Number

  • 62258-12-2

System Generated Number

  • 0062258122

Structure Descriptors

InChI

1S/C38H65NO29/c1-9-18(48)22(52)25(55)35(59-9)64-29(12(46)4-40)30(13(47)5-41)65-38-28(58)33(21(51)15(7-43)62-38)68-34-17(39-11(3)45)32(67-37-27(57)24(54)20(50)14(6-42)61-37)31(16(8-44)63-34)66-36-26(56)23(53)19(49)10(2)60-36/h4,9-10,12-38,41-44,46-58H,5-8H2,1-3H3,(H,39,45)/t9-,10-,12-,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-/m0/s1

InChIKey

QNSWVQWPVUZACH-XCVMNONQSA-N

Smiles

O1[C@H]([C@@H](O)[C@@H](O)[C@@H]([C@@H]1O[C@H]1[C@H](O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[C@H]([C@@H](O[C@@H]1CO)O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O[C@@H]([C@@H]([C@@H](O)C=O)O[C@@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)C)[C@H](O)CO)CO)O)NC(=O)C)O)C