5'-Sulfamoyl-2-Chloroadenosine
[CAS# 66522-52-9]

Identification

• Name: 5'-Sulfamoyl-2-Chloroadenosine
• Synonyms: [(2R,3S,4R,5R)-5-(6-Amino-2-Chloro-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Sulfamate; Sulfamic Acid [(2R,3S,4R,5R)-5-(6-Amino-2-Chloro-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Ester; Sulfamic Acid [(2R,3S,4R,5R)-5-(6-Amino-2-Chloro-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Ester
• Molecular Formula: C₁₀H₁₃ClN₆O₆S
• Molecular Weight: 380.76
• CAS Registry Number: 66522-52-9
• SMILES: [C@H]3([N]2C1=C(C(=NC(=N1)Cl)N)N=C2)[C@@H]([C@@H]([C@H](O3)CO[S](=O)(=O)N)O)O
• InChI: 1S/C10H13ClN6O6S/c11-10-15-7(12)4-8(16-10)17(2-14-4)9-6(19)5(18)3(23-9)1-22-24(13,20)21/h2-3,5-6,9,18-19H,1H2,(H2,12,15,16)(H2,13,20,21)/t3-,5-,6-,9-/m1/s1
• InChIKey: JHUGCRSKMUFKHR-UUOKFMHZSA-N

Properties

• Density: 2.326g/cm³ (Cal.)
• Boiling point: 685.442°C at 760 mmHg (Cal.)
• Flash point: 368.342°C (Cal.)