(2S,3S,4R,5R)-2-(2-Aminoethylsulfanylmethyl)-5-[6-[(4-Nitrophenyl)Methylamino]Purin-9-Yl]Oxolane-3,4-Diol
[CAS# 130117-76-9]

Identification

• Name: (2S,3S,4R,5R)-2-(2-Aminoethylsulfanylmethyl)-5-[6-[(4-Nitrophenyl)Methylamino]Purin-9-Yl]Oxolane-3,4-Diol
• Synonyms: (2S,3S,4R,5R)-2-(2-Aminoethylsulfanylmethyl)-5-[6-[(4-Nitrophenyl)Methylamino]Purin-9-Yl]Tetrahydrofuran-3,4-Diol; (2S,3S,4R,5R)-2-[(2-Aminoethylthio)Methyl]-5-[6-[(4-Nitrophenyl)Methylamino]-9-Purinyl]Tetrahydrofuran-3,4-Diol; (2S,3S,4R,5R)-2-[(2-Aminoethylthio)Methyl]-5-[6-[(4-Nitrobenzyl)Amino]Purin-9-Yl]Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₉H₂₃N₇O₅S
• Molecular Weight: 461.49
• CAS Registry Number: 130117-76-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CSCCN)[N]2C3=C(N=C2)C(=NC=N3)NCC4=CC=C([N+]([O-])=O)C=C4
• InChI: 1S/C19H23N7O5S/c20-5-6-32-8-13-15(27)16(28)19(31-13)25-10-24-14-17(22-9-23-18(14)25)21-7-11-1-3-12(4-2-11)26(29)30/h1-4,9-10,13,15-16,19,27-28H,5-8,20H2,(H,21,22,23)/t13-,15-,16-,19-/m1/s1
• InChIKey: OAFPVFZXWPVEBS-NVQRDWNXSA-N

Properties

• Density: 1.7g/cm³ (Cal.)
• Boiling point: 793.024°C at 760 mmHg (Cal.)
• Flash point: 433.406°C (Cal.)