Products 85209-81-0

CAS 85209-81-0 appears in our catalog under these names: Monobutyl Phthalate Acyl-beta-D-glucuronide, Monobutyl phthalate acyl-β-D-glucuronide. Offered by: TRC, Biosynth. Available pack sizes: 50mg, 5mg, 10mg, 25mg.

Monobutyl Phthalate Acyl-beta-D-glucuronide
TRC
  • size: 50mg, 5mg
  • Variants: 2
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Monobutyl phthalate acyl-β-D-glucuronide
Biosynth
  • size: 10mg, 5mg, 25mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-6-(2-butoxycarbonylbenzoyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 85209-81-0) is a chemical compound with the molecular formula C18H22O10 and a molecular weight of 398.4 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-(2-butoxycarbonylbenzoyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: SCTNBUBWGRBAFE-PCBYGDGMSA-N.

Identity
Molecular formulaC18H22O10
Molecular weight398.4 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-(2-butoxycarbonylbenzoyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeySCTNBUBWGRBAFE-PCBYGDGMSA-N
SMILESCCCCOC(=O)C1=CC=CC=C1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Monobutyl Phthalate Acyl-b-D-glucuronide, MONOBUTYL PHTHALATE ACYL-BETA-D-GLUCURONIDE, Monobutyl Phthalate Acyl-|A-D-glucuronide, Monobutyl Phthalate Acyl-b-D-glucuronide (>90%), 1-O-[2-(Butoxycarbonyl)benzoyl]-beta-D-glucopyranuronic acid