3-Indoxyl-beta-D-Glucopyranoside Trihydrate
[CAS# 1328-73-0]

Identification

• Name: 3-Indoxyl-beta-D-Glucopyranoside Trihydrate
• Synonyms: (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(1H-Indol-3-Yloxy)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-(1H-Indol-3-Yloxy)-6-Methylol-Tetrahydropyran-3,4,5-Triol; Zinc04097614
• Molecular Formula: C₁₄H₁₇NO₆
• Molecular Weight: 295.29
• CAS Registry Number: 1328-73-0
• SMILES: [C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)OC2=C[NH]C3=CC=CC=C23
• InChI: 1S/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2/t10-,11-,12+,13-,14-/m1/s1
• InChIKey: XVARCVCWNFACQC-RKQHYHRCSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 606.7±55.0°C at 760 mmHg (Cal.)
• Flash point: 320.7±31.5°C (Cal.)