Products 487049-23-0

CAS 487049-23-0 is the registry number for Monofucosyl-para-lacto-N-neohexaose IV. Offered by: Biosynth. Available pack sizes: 1g.

Monofucosyl-para-lacto-N-neohexaose IV
Biosynth
  • size: 1g
  • Variants: 1
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Structural formula: {0} (CAS {1})

N-[(2S,4R,5S)-2-[(2S,4S,5S)-2-[(3S,4R,6S)-5-acetamido-6-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CAS 487049-23-0) is a chemical compound with the molecular formula C46H78N2O35 and a molecular weight of 1219.1 g/mol. IUPAC name: N-[(2S,4R,5S)-2-[(2S,4S,5S)-2-[(3S,4R,6S)-5-acetamido-6-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide. InChIKey: ZIPBLFIBEGJWGG-KZMKOZRKSA-N.

Identity
Molecular formulaC46H78N2O35
Molecular weight1219.1 g/mol
IUPAC nameN-[(2S,4R,5S)-2-[(2S,4S,5S)-2-[(3S,4R,6S)-5-acetamido-6-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
InChIKeyZIPBLFIBEGJWGG-KZMKOZRKSA-N
SMILESCC1[C@H]([C@@H](C([C@@H](O1)O[C@H]2[C@@H](C(O[C@H](C2NC(=O)C)O[C@H]3[C@H](C(O[C@H](C3O)O[C@H]4[C@@H](C(C(OC4CO)O)O)O)CO)O)CO)O[C@H]5C([C@H]([C@H](C(O5)CO)O)O[C@H]6C([C@H]([C@@H](C(O6)CO)O[C@H]7C([C@H]([C@H](C(O7)CO)O)O)O)O)NC(=O)C)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: MFpLNnH IV, Monofucosyl-para-lacto-N-neohexaose IV, asialo-VIM-2 antigen, Gal-b-1,4-GlcNAc-b-1,3-Gal-b-1,4-[Fuc-a-1,3]-GlcNAc-b-1,3-Gal-b-1,4-Glc
Isomers (same molecular formula)
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-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 C46H78N2O35
N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide C46H78N2O35
N-[2-[2-[[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxyoxan-4-yl]oxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]acetamide C46H78N2O35
N-[(2S,4R,5S)-5-[(2S,4S,5S)-4-[(2S,4R,5S)-3-acetamido-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide C46H78N2O35