4-Hydroxyalprenolol Glucuronide
[CAS# 70359-54-5]

Identification

• Name: 4-Hydroxyalprenolol Glucuronide
• Synonyms: (2S,3S,4S,5R,6R)-6-[1-[(2-Allyl-4-Hydroxy-Phenoxy)Methyl]-2-(Isopropylamino)Ethoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-6-[1-[(2-Allyl-4-Hydroxyphenoxy)Methyl]-2-(Isopropylamino)Ethoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[1-(4-Hydroxy-2-Prop-2-Enyl-Phenoxy)-3-(Propan-2-Ylamino)Propan-2-Yl]Oxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₂₁H₃₁NO₉
• Molecular Weight: 441.48
• CAS Registry Number: 70359-54-5
• SMILES: [C@H]2(OC(COC1=CC=C(C=C1CC=C)O)CNC(C)C)[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)C(=O)O
• InChI: 1S/C21H31NO9/c1-4-5-12-8-13(23)6-7-15(12)29-10-14(9-22-11(2)3)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h4,6-8,11,14,16-19,21-26H,1,5,9-10H2,2-3H3,(H,27,28)/t14?,16-,17-,18+,19-,21+/m0/s1
• InChIKey: OTYUUJKEJXUHTG-ZURLMRQQSA-N

Properties

• Density: 1.36g/cm³ (Cal.)
• Boiling point: 704.664°C at 760 mmHg (Cal.)
• Flash point: 379.967°C (Cal.)