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Glcnac branched hexasaccharide

Catalog Number: EVT-1535924

CAS Number: 93128-11-1

Molecular Formula: C42H71N3O31

Molecular Weight: 1114 g/mol

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Product Introduction

Properties

CAS Number

93128-11-1

Product Name

Glcnac branched hexasaccharide

IUPAC Name

N-[(2R,3R,4R,6R)-2-[[(3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Molecular Formula

C42H71N3O31

Molecular Weight

1114 g/mol

InChI

InChI=1S/C42H71N3O31/c1-11(52)43-14(4-46)23(56)34(15(55)5-47)73-42-33(66)37(76-39-22(45-13(3)54)28(61)36(19(9-51)71-39)75-41-32(65)30(63)25(58)17(7-49)69-41)26(59)20(72-42)10-67-38-21(44-12(2)53)27(60)35(18(8-50)70-38)74-40-31(64)29(62)24(57)16(6-48)68-40/h4,14-42,47-51,55-66H,5-10H2,1-3H3,(H,43,52)(H,44,53)(H,45,54)/t14-,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-,41-,42-/m0/s1

InChI Key

NUUHFTOLHKDBAV-CKDNLHRZSA-N

SMILES

CC(=O)NC1C(C(C(OC1OCC2C(C(C(C(O2)OC(C(CO)O)C(C(C=O)NC(=O)C)O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)NC(=O)C)O)CO)OC5C(C(C(C(O5)CO)O)O)O)O

Synonyms

Gal beta 1-4-GlcNAc-beta 1-3(Gal-beta 1-4-GlcNAc-beta 1-6)Gal-beta 1-4-GlcNAc
galactosyl-beta 1-4-N-acetylglucosaminyl-beta 1-3-(galactosyl-beta 1-4-N-acetylglucosaminyl-beta 1-6)galactosyl-beta 1-4-N-acetylglucosaminylpyranoside
GlcNAc branched hexasaccharide

Canonical SMILES

CC(=O)NC1C(C(C(OC1OCC2C(C(C(C(O2)OC(C(CO)O)C(C(C=O)NC(=O)C)O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)NC(=O)C)O)CO)OC5C(C(C(C(O5)CO)O)O)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H]([C@@H](OC([C@@H]2O)CO[C@H]3[C@@H]([C@H](C([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)NC(=O)C)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)NC(=O)C)O)O)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O

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