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Salicylacyl Glucuronide
[CAS# 29315-53-5]

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Identification
Name Salicylacyl Glucuronide
Synonyms (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-Hydroxybenzoyl)Oxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2-Hydroxyphenyl)-Oxomethoxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-Hydroxyphenyl)Carbonyloxy-Oxane-2-Carboxylic Acid
Molecular Structure CAS#: 29315-53-5, Salicylacyl Glucuronide
Molecular Formula C13H14O9
Molecular Weight 314.25
CAS Registry Number 29315-53-5
SMILES [C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)OC(C2=CC=CC=C2O)=O
InChI 1S/C13H14O9/c14-6-4-2-1-3-5(6)12(20)22-13-9(17)7(15)8(16)10(21-13)11(18)19/h1-4,7-10,13-17H,(H,18,19)/t7-,8-,9+,10-,13-/m0/s1
InChIKey IXVVXKRKCLJCKA-UNLLLRGISA-N
Properties
Density 1.721g/cm3 (Cal.)
Boiling point 588.081°C at 760 mmHg (Cal.)
Flash point 225.072°C (Cal.)
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