6-Hydroxymelatonin Glucuronide
[CAS# 94840-69-4]

Identification

• Name: 6-Hydroxymelatonin Glucuronide
• Synonyms: (2S,3S,4R,5R,6R)-4-(2-Acetamidoethyl)-3,4,5-Trihydroxy-6-(1H-Indol-6-Yloxy)-2-Methoxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4R,5R,6R)-4-(2-Acetamidoethyl)-3,4,5-Trihydroxy-6-(1H-Indol-6-Yloxy)-2-Methoxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4R,5R,6R)
• Molecular Formula: C₁₉H₂₄N₂O₉
• Molecular Weight: 424.41
• CAS Registry Number: 94840-69-4
• SMILES: [C@H]3(OC2=CC1=C(C=C[NH]1)C=C2)[C@H](O)[C@@](O)([C@H](O)[C@](O3)(C(=O)O)OC)CCNC(=O)C
• InChI: 1S/C19H24N2O9/c1-10(22)20-8-6-18(27)14(23)15(30-19(28-2,16(18)24)17(25)26)29-12-4-3-11-5-7-21-13(11)9-12/h3-5,7,9,14-16,21,23-24,27H,6,8H2,1-2H3,(H,20,22)(H,25,26)/t14-,15+,16-,18+,19-/m0/s1
• InChIKey: ABFAMHIWAGQWGO-CTRAYCPCSA-N

Properties

• Density: 1.535g/cm³ (Cal.)
• Boiling point: 782.841°C at 760 mmHg (Cal.)
• Flash point: 427.247°C (Cal.)