Products 1217463-85-8

CAS 1217463-85-8 is the registry number for Mono(2-ethyl-5-hydroxyhexyl) Phthalate Acyl Glucuronide. Offered by: TRC. Available pack sizes: 25mg.

Mono(2-ethyl-5-hydroxyhexyl) Phthalate Acyl Glucuronide
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-6-[2-(2-ethyl-5-hydroxyhexoxy)carbonylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 1217463-85-8) is a chemical compound with the molecular formula C22H30O11 and a molecular weight of 470.5 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-[2-(2-ethyl-5-hydroxyhexoxy)carbonylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: QIWVTCFVSVSDOD-SHEBYGCBSA-N.

Identity
Molecular formulaC22H30O11
Molecular weight470.5 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[2-(2-ethyl-5-hydroxyhexoxy)carbonylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyQIWVTCFVSVSDOD-SHEBYGCBSA-N
SMILESCCC(CCC(C)O)COC(=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: Mono(2-ethyl-5-hydroxyhexyl) Phthalate Acyl Glucuronide
Isomers (same molecular formula)
6-[(2S)-2-hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5,7-dimethoxychromen-2-one C22H30O11