Products 671215-25-1

CAS 671215-25-1 appears in our catalog under these names: Monoethyl Phthalate O-beta-D-Glucuronide, >95% (HPLC), Monoethyl phthalate-d4 O-β-D-glucuronide. Offered by: TRC, Biosynth. Available pack sizes: 50mg, 5mg, 2mg, 1mg, 25mg, 10mg.

Monoethyl Phthalate O-beta-D-Glucuronide, >95% (HPLC)
TRC
  • size: 50mg, 5mg
  • Variants: 2
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Monoethyl phthalate-d4 O-β-D-glucuronide
Biosynth
  • size: 2mg, 1mg, 5mg, 25mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-6-(2-ethoxycarbonylbenzoyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 671215-25-1) is a chemical compound with the molecular formula C16H18O10 and a molecular weight of 370.31 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-(2-ethoxycarbonylbenzoyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: MCMQAADVCDNUCU-RPHNGCRZSA-N.

Identity
Molecular formulaC16H18O10
Molecular weight370.31 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-(2-ethoxycarbonylbenzoyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyMCMQAADVCDNUCU-RPHNGCRZSA-N
SMILESCCOC(=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: Monoethyl Phthalate O-b-D-Glucuronide, MONOETHYL PHTHALATE O-BETA-D-GLUCURONIDE, Monoethyl Phthalate O-|A-D-Glucuronide, 1-(Ethyl 1,2-Benzenedicarboxylate) ss-D-Glucopyranuronic Acid;, 1-O-[2-(Ethoxycarbonyl)benzoyl]-beta-D-glucopyranuronic acid
Isomers (same molecular formula)
(2S,3S,4S,5R,6S)-6-[4-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C16H18O10
(2S,3S,4S,5R,6S)-6-[5-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C16H18O10
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid;hydrate C16H18O10