Monobutyl phthalate acyl-β-D-glucuronide

cas: 85209-81-0 — see every product listed under this CAS number, including other names

Monobutyl phthalate acyl-β-D-glucuronide (CAS 85209-81-0) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 5mg, 25mg. Offered by: Biosynth.

brandBiosynth
catalog numberKDA20981-10mg
cas85209-81-0
size10mg
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properties

categoryResearch Chemicals
sub-category 1Sourcing
purityNo data
delivery time3-4 weeks
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
Isomers (same molecular formula)
3-[7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-5-yl]propanoic acid C18H22O10
5,7-dihydroxy-2-[(2R)-2-hydroxypropyl]-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one C18H22O10

Also listed as

Monobutyl Phthalate Acyl-beta-D-glucuronide TRC CAS 85209-81-0