Products 102674-29-3

CAS 102674-29-3 appears in our catalog under these names: Monobenzyl Phthalate beta-D-Glucuronide, >95% (HPLC), Monobenzyl phthalate (phenyl-d4) β-D-glucuronide. Offered by: TRC, Biosynth. Available pack sizes: 50mg, 5mg, 1mg, 10mg, 25mg.

Monobenzyl Phthalate beta-D-Glucuronide, >95% (HPLC)
TRC
  • size: 50mg, 5mg
  • Variants: 2
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Monobenzyl phthalate (phenyl-d4) β-D-glucuronide
Biosynth
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-phenylmethoxycarbonylbenzoyl)oxyoxane-2-carboxylic acid (CAS 102674-29-3) is a chemical compound with the molecular formula C21H20O10 and a molecular weight of 432.4 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-phenylmethoxycarbonylbenzoyl)oxyoxane-2-carboxylic acid. InChIKey: XRYVIGQHAGBRFV-QYRAFCHESA-N.

Identity
Molecular formulaC21H20O10
Molecular weight432.4 g/mol
IUPAC name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-phenylmethoxycarbonylbenzoyl)oxyoxane-2-carboxylic acid
InChIKeyXRYVIGQHAGBRFV-QYRAFCHESA-N
SMILESC1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Monobenzyl Phthalate beta-D-Glucuronide, Monobenzyl Phthalate b-D-Glucuronide, ss-D-Glucopyranuronic acid 1-[2-(Phenylmethyl) 1,2-Benzenedicarboxylate]
Isomers (same molecular formula)
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one C21H20O10
5,6-dihydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C21H20O10
1,6-dihydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione C21H20O10
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one C21H20O10
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C21H20O10
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one C21H20O10
5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C21H20O10
1,3-dihydroxy-6-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione C21H20O10
8-hydroxy-3-(hydroxymethyl)-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione C21H20O10
5,7-dihydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one C21H20O10
3-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one C21H20O10
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one C21H20O10