Products 125161-47-9

CAS 125161-47-9 is the registry number for Esterbut-3. Offered by: MedChemExpress. Available pack sizes: Get quote.

Esterbut-3
MedChemExpress
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Structural formula: {0} (CAS {1})

[(3aR,5R,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] butanoate (CAS 125161-47-9) is a chemical compound with the molecular formula C13H22O7 and a molecular weight of 290.31 g/mol. IUPAC name: [(3aR,5R,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] butanoate. InChIKey: WFVFQUPBGWFLMB-DVYMNCLGSA-N.

Identity
Molecular formulaC13H22O7
Molecular weight290.31 g/mol
IUPAC name[(3aR,5R,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] butanoate
InChIKeyWFVFQUPBGWFLMB-DVYMNCLGSA-N
SMILESCCCC(=O)O[C@@H]1[C@@H]2[C@H](O[C@@H]1[C@@H](CO)O)OC(O2)(C)C

Computed by PubChem (NCBI)

Synonyms: Esterbut-3, Mag-3BUT, Monoacetone glucose 3-butyrate, Monobut-3, 3n-butyrate, 3-O-Butanoyl-1,2-O-isopropylidene-alpha-D-glucofuranose, 3n-But, orb1702294, alpha-D-Glucofuranose, 1,2-O-(1-methylethylidene)-, 3-butanoate, 3-O-Butanoyl-1,2-O-(1-methylethylidene)-alpha-D-glucofuranose
Isomers (same molecular formula)
methyl (2R)-2-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate C13H22O7
2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid C13H22O7
methyl (4R,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate C13H22O7
[(3aR,4R,6R)-6-(1,2-dihydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] butanoate C13H22O7
[(2R)-2-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethyl] butanoate C13H22O7

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