CAS 1858223-85-4 Neu5Ac[1Me,4789Ac]alpha(2-3)Gal[246Bz]-beta-MP, 95%

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Neu5Ac[1Me,4789Ac]alpha(2-3)Gal[246Bz]-beta-MP, 95%

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Catalog Number

ACM1858223854

Product Name

Neu5Ac[1Me,4789Ac]alpha(2-3)Gal[246Bz]-beta-MP, 95%

CAS

1858223-85-4

Category

Other Glass and Ceramic Materials

IUPAC Name

methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[(2R,3S,4S,5R,6S)-3,5-dibenzoyloxy-2-(benzoyloxymethyl)-6-(4-methoxyphenoxy)oxan-4-yl]oxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Molecular Weight

1072g/mol

Molecular Formula

C54H57NO22

Canonical SMILES

CC(=O)NC1C(CC(OC1C(C(COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC2C(C(OC(C2OC(=O)C3=CC=CC=C3)OC4=CC=C(C=C4)OC)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C

InChI

InChI=1S/C54H57NO22/c1-30(56)55-43-40(69-32(3)58)27-54(53(64)66-7,76-46(43)44(71-34(5)60)41(70-33(4)59)28-67-31(2)57)77-47-45(74-50(62)36-19-13-9-14-20-36)42(29-68-49(61)35-17-11-8-12-18-35)73-52(72-39-25-23-38(65-6)24-26-39)48(47)75-51(63)37-21-15-10-16-22-37/h8-26,40-48,52H,27-29H2,1-7H3,(H,55,56)/t40-,41+,42+,43+,44+,45-,46+,47-,48+,52+,54-/m0/s1

InChI Key

DNICDVYFYXDKKN-KJIULPAQSA-N

Complexity

2030

Covalently-Bonded Unit Count

Exact Mass

1071.337222g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

1071.337222g/mol

Rotatable Bond Count