5'-Chloro-5'-deoxyadenosine hydrate (1:1)
[CAS# 698999-09-6]

Identification

• Name: 5'-Chloro-5'-deoxyadenosine hydrate (1:1)
• Synonyms: 5'-Chloro-5'-deoxyadenosine hydrate; 548488_ALDRICH
• Molecular Formula: C₁₀H₁₄ClN₅O₄
• Molecular Weight: 303.70
• CAS Registry Number: 698999-09-6
• SMILES: ClC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3O.O
• InChI: 1S/C10H12ClN5O3.H2O/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16;/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14);1H2/t4-,6-,7-,10-;/m1./s1
• InChIKey: XFACRIDKAAYORV-MCDZGGTQSA-N

Properties

• Boiling point: 720.8°C at 760 mmHg (Cal.)
• Flash point: 389.7°C (Cal.)
• Refractive index: (Cal.)