(3S,4R,5S)-Methyl 3,4,5,6-Tetrahydroxy-2-Oxohexanoate

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Catalog Number ACM3031989
Product Name (3S,4R,5S)-Methyl 3,4,5,6-Tetrahydroxy-2-Oxohexanoate
CAS Number 3031-98-9
Structure (3S,4R,5S)-Methyl 3,4,5,6-Tetrahydroxy-2-Oxohexanoate
IUPAC Name methyl (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoate
Synonyms (3S,4R,5S)-Methyl 3,4,5,6-Tetrahydroxy-2-Oxohexanoate
Molecular Weight 208.17
Molecular Formula C7H12O7
Canonical SMILES COC(=O)C(=O)[C@H]([C@@H]([C@H](CO)O)O)O
Inchi InChI=1S/C7H12O7/c1-14-7(13)6(12)5(11)4(10)3(9)2-8/h3-5,8-11H,2H2,1H3/t3-,4+,5-/m0/s1
InChIKey KPHIBLNUVRGOGU-LMVFSUKVSA-N
Boiling Point 495.4 °C at 760 mmHg
Flash Point 204.6±22.2 °C
Purity 95%
Density 1.5±0.1 g/cm3
Appearance Solid
Refractive Index 1.535

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