2-(2,3,4,6-Tetra-O-Acetyl-beta-D-Glucopyranosyl)-2-Thiopseudourea Hydrobromide
[CAS# 40591-65-9]

Identification

• Name: 2-(2,3,4,6-Tetra-O-Acetyl-beta-D-Glucopyranosyl)-2-Thiopseudourea Hydrobromide
• Synonyms: [3,5-Diacetoxy-2-(Acetoxymethyl)-6-Carbamimidoylsulfanyl-Tetrahydropyran-4-Yl] Acetate Hydrobromide; Acetic Acid [3,5-Diacetoxy-2-(Acetoxymethyl)-6-(Carbamimidoylthio)-4-Tetrahydropyranyl] Ester Hydrobromide; Acetic Acid [3,5-Diacetoxy-2-(Acetoxymethyl)-6-(Amidinothio)Tetrahydropyran-4-Yl] Ester Hydrobromide
• Molecular Formula: C₁₅H₂₃BrN₂O₉S
• Molecular Weight: 487.32
• CAS Registry Number: 40591-65-9
• EINECS: 254-989-0
• SMILES: [H+].C(OC(=O)C)C1OC(SC(N)=N)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C.[Br-]
• InChI: 1S/C15H22N2O9S.BrH/c1-6(18)22-5-10-11(23-7(2)19)12(24-8(3)20)13(25-9(4)21)14(26-10)27-15(16)17;/h10-14H,5H2,1-4H3,(H3,16,17);1H
• InChIKey: QNVDHERXTIAGPT-UHFFFAOYSA-N

Properties

• Boiling point: 490.9°C at 760 mmHg (Cal.)
• Flash point: 250.7°C (Cal.)