(1S,2R,3S,5S)-3-(4-Amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-1,2-cyclopentanediol
[CAS# 88767-13-9]

Identification

• Name: (1S,2R,3S,5S)-3-(4-Amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-1,2-cyclopentanediol
• Synonyms: (1s,2r,3s,5s)-3-(4-amino-7h-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol; 1,2-Cyclopentanediol, 3-(4-amino-7H-pyrrolo(2,3-d)pyrimidine-7-yl)-5-(hydroxymethyl)-, (1α,2α,3β,5β)-(±)-; 3-Apphc
• Molecular Formula: C₁₂H₁₆N₄O₃
• Molecular Weight: 264.28
• CAS Registry Number: 88767-13-9
• SMILES: n1c(c2c(nc1)n(cc2)[C@H]3C[C@@H](CO)[C@H](O)[C@@H]3O)N
• InChI: 1S/C12H16N4O3/c13-11-7-1-2-16(12(7)15-5-14-11)8-3-6(4-17)9(18)10(8)19/h1-2,5-6,8-10,17-19H,3-4H2,(H2,13,14,15)/t6-,8-,9-,10+/m0/s1
• InChIKey: NWEFPWLRKOSAMD-MIBSWOBISA-N

Properties

• Density: 1.772g/cm³ (Cal.)
• Boiling point: 446.929°C at 760 mmHg (Cal.)
• Flash point: 224.095°C (Cal.)