(2E)-2-Methyl-4-(7H-purin-6-ylamino)-2-buten-1-yl beta-D-glucopyranoside
[CAS# 56329-06-7]

Identification

• Name: (2E)-2-Methyl-4-(7H-purin-6-ylamino)-2-buten-1-yl beta-D-glucopyranoside
• Synonyms: (2E)-2-methyl-4-(1H-purin-6-ylamino)but-2-en-1-yl β-D-glucopyranoside; (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-yl β-D-glucopyranoside; O-β-D-glucosyl-trans-zeatin
• Molecular Formula: C₁₆H₂₃N₅O₆
• Molecular Weight: 381.38
• CAS Registry Number: 56329-06-7
• SMILES: O(C/C(=C/CNc2ncnc1ncnc12)C)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO
• InChI: 1S/C16H23N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-22)27-16/h2,6-7,9,11-13,16,22-25H,3-5H2,1H3,(H2,17,18,19,20,21)/b8-2+/t9-,11-,12+,13-,16-/m1/s1
• InChIKey: UUPDCCPAOMDMPT-HNVSNYHQSA-N

Properties

• Density: 1.532g/cm³ (Cal.)
• Boiling point: 790.769°C at 760 mmHg (Cal.)
• Flash point: 432.042°C (Cal.)