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Home >> Chemical Listing >> Page 2574 >> Methyl 1-thio-D-glucopyranosiduronic acid

Methyl 1-thio-D-glucopyranosiduronic acid
[CAS# 780711-63-9]

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Identification
Name Methyl 1-thio-D-glucopyranosiduronic acid
Synonyms (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2H-pyran-2-carboxylic acid
Molecular Structure CAS#: 780711-63-9, Methyl 1-thio-D-glucopyranosiduronic acid
Molecular Formula C7H12O6S
Molecular Weight 224.23
CAS Registry Number 780711-63-9
SMILES CSC1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
InChI 1S/C7H12O6S/c1-14-7-4(10)2(8)3(9)5(13-7)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3-,4+,5-,7?/m0/s1
InChIKey CKAAHCBAWAIEFK-OJGRKFFBSA-N
Properties
Density 1.639g/cm3 (Cal.)
Boiling point 508.884°C at 760 mmHg (Cal.)
Flash point 261.564°C (Cal.)
Refractive index 1.624 (Cal.)
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