4-Ethyl-7-[(5-Thio-beta-D-Xylopyranosyl)Oxy]-2H-1-Benzopyran-2-One
[CAS# 137214-72-3]

Identification

• Name: 4-Ethyl-7-[(5-Thio-beta-D-Xylopyranosyl)Oxy]-2H-1-Benzopyran-2-One
• Synonyms: 4-Ethyl-7-[(2R,3R,4S,5S)-3,4,5-Trihydroxytetrahydrothiopyran-2-Yl]Oxy-Chromen-2-One; 4-Ethyl-7-[[(2R,3R,4S,5S)-3,4,5-Trihydroxy-2-Tetrahydrothiopyranyl]Oxy]-2-Chromenone; 4-Ethyl-7-[(2R,3R,4S,5S)-3,4,5-Trihydroxytetrahydrothiopyran-2-Yl]Oxy-Coumarin
• Molecular Formula: C₁₆H₁₈O₆S
• Molecular Weight: 338.37
• CAS Registry Number: 137214-72-3
• SMILES: [C@H]3(OC2=CC1=C(C(=CC(O1)=O)CC)C=C2)[C@@H]([C@H]([C@H](O)CS3)O)O
• InChI: 1S/C16H18O6S/c1-2-8-5-13(18)22-12-6-9(3-4-10(8)12)21-16-15(20)14(19)11(17)7-23-16/h3-6,11,14-17,19-20H,2,7H2,1H3/t11-,14+,15-,16-/m1/s1
• InChIKey: AJPYMAXBUCUFLQ-MSQAHXEGSA-N

Properties

• Density: 1.474g/cm³ (Cal.)
• Boiling point: 571.939°C at 760 mmHg (Cal.)
• Flash point: 299.698°C (Cal.)