Products 870891-83-1

CAS 870891-83-1 is the registry number for Blood Group A trisaccharide, spacer-biotin conjugate. Offered by: Biosynth. Available pack sizes: 2mg, 1mg, 5mg, 10mg.

Blood Group A trisaccharide, spacer-biotin conjugate
Biosynth
  • size: 2mg, 1mg, 5mg, 10mg
  • Variants: 4
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Structural formula: {0} (CAS {1})

N-[3-[4-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxypropyl]-6-[5-[(3aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanamide (CAS 870891-83-1) is a chemical compound with the molecular formula C39H67N5O18S and a molecular weight of 926.0 g/mol. IUPAC name: N-[3-[4-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxypropyl]-6-[5-[(3aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanamide. InChIKey: YIKYAIXPUAIQIG-XXMHULEBSA-N.

Identity
Molecular formulaC39H67N5O18S
Molecular weight926.0 g/mol
IUPAC nameN-[3-[4-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxypropyl]-6-[5-[(3aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanamide
InChIKeyYIKYAIXPUAIQIG-XXMHULEBSA-N
SMILESCC1C(C(C(C(O1)OC2C(C(C(OC2OCCCNC(=O)CCCCCNC(=O)CCCCC3[C@@H]4C(CS3)NC(=O)N4)CO)O)OC5C(C(C(C(O5)CO)O)O)NC(=O)C)O)O)O

Computed by PubChem (NCBI)

Synonyms: Blood Group A trisaccharide, spacer-biotin conjugate, Fuc-(a1,2)-[GalNAc-(a1,3)]-b-Gal-O(CH2)3NHCO(CH2)5NH-biotin
Isomers (same molecular formula)
6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-N-[3-[3-acetamido-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxypropyl]hexanamide C39H67N5O18S
N-[3-[(4R,5S)-3-acetamido-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-6-[5-[(3aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanamide C39H67N5O18S