2'-Deoxyformycin A
[CAS# 96893-70-8]

Identification

• Name: 2'-Deoxyformycin A
• Synonyms: (2R,3S,5R)-5-(6-Aminopurin-9-Yl)-2-(Hydroxymethyl)Tetrahydrofuran-3-Ol; (2R,3S,5R)-5-(6-Amino-9-Purinyl)-2-(Hydroxymethyl)-3-Tetrahydrofuranol; (2R,3S,5R)-5-(6-Aminopurin-9-Yl)-2-Methylol-Tetrahydrofuran-3-Ol
• Molecular Formula: C₁₀H₁₃N₅O₃
• Molecular Weight: 251.24
• CAS Registry Number: 96893-70-8
• SMILES: [C@@H]3([N]2C1=C(C(=NC=N1)N)N=C2)O[C@H](CO)[C@H](C3)O
• InChI: 1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1
• InChIKey: OLXZPDWKRNYJJZ-RRKCRQDMSA-N

Properties

• Density: 1.92g/cm³ (Cal.)
• Melting point: 189°C (Expl.)
• Boiling point: 627.155°C at 760 mmHg (Cal.)
• Flash point: 333.091°C (Cal.)

References

• (1): Wang et al.. Phosphorothioation of DNA in bacteria by dnd genes, Nature Chemical Biology, 2007