(2R,5S)-5-(3,4-Dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic Acid (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl Ester

cas: 389128-28-3 — see every product listed under this CAS number, including other names

(2R,5S)-5-(3,4-Dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic Acid (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl Ester (CAS 389128-28-3) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 25mg. Offered by: TRC.

• 2D
• 3D

7-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-methylchromen-2-one (CAS 389128-28-3) is a chemical compound with the molecular formula C22H28O12 and a molecular weight of 484.4 g/mol. IUPAC name: 7-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-methylchromen-2-one. InChIKey: QVEUSHJADSGABK-VUTOFLNPSA-N.

Identity

Molecular formula	C22H28O12
Molecular weight	484.4 g/mol
IUPAC name	7-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-methylchromen-2-one
InChIKey	QVEUSHJADSGABK-VUTOFLNPSA-N
SMILES	CC1[C@@H](C(C([C@@H](O1)OC2[C@@H](OC([C@@H](C2O)O)CO)OC3=CC4=C(C=C3)C(=CC(=O)O4)C)O)O)O

Computed by PubChem (NCBI)

Isomers (same molecular formula)

7-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4-methylchromen-2-one C₂₂H₂₈O₁₂

7-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-methylchromen-2-one C₂₂H₂₈O₁₂

(2S,3S,5R,6S)-6-[2-(5-carboxy-2-ethylpentoxy)carbonylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C₂₂H₂₈O₁₂

[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-methyl-4-oxo-5-propan-2-ylidenefuran-3-yl)oxyoxan-2-yl]methyl acetate C₂₂H₂₈O₁₂

[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(3-hydroxy-5-oxooxolan-3-yl)propoxy]oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate C₂₂H₂₈O₁₂