Products 870891-31-9

CAS 870891-31-9 is the registry number for Lewis B tetrasaccharide-sp-biotin. Offered by: Biosynth. Available pack sizes: 2mg, 1mg.

Lewis B tetrasaccharide-sp-biotin
Biosynth
  • size: 2mg, 1mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

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-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxypropyl]hexanamide (CAS 870891-31-9) is a chemical compound with the molecular formula C45H77N5O22S and a molecular weight of 1072.2 g/mol. IUPAC name: 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-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxypropyl]hexanamide. InChIKey: NKBWFLZGUYSRFP-MVZWTKQUSA-N.

Identity
Molecular formulaC45H77N5O22S
Molecular weight1072.2 g/mol
IUPAC name6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-N-[3-[3-acetamido-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxypropyl]hexanamide
InChIKeyNKBWFLZGUYSRFP-MVZWTKQUSA-N
SMILESCC1C(C(C(C(O1)OC2C(OC(C(C2OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)C)O)O)O)NC(=O)C)OCCCNC(=O)CCCCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: Lewis B tetrasaccharide-sp-biotin, Fuc-a-1,2-Gal-b-1,3-(Fuc-a-1,4)GlcNAc-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-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxypropyl]hexanamide C45H77N5O22S