[(2S,3R,4R,5R)-2-[6-[(4-Amino-4-Oxobutyl)Amino]Purin-9-Yl]-4-Propanoyloxy-5-(Propanoyloxymethyl)Oxolan-3-Yl] Propanoate
[CAS# 104124-23-4]

Identification

• Name: [(2S,3R,4R,5R)-2-[6-[(4-Amino-4-Oxobutyl)Amino]Purin-9-Yl]-4-Propanoyloxy-5-(Propanoyloxymethyl)Oxolan-3-Yl] Propanoate
• Synonyms: [(2S,3R,4R,5R)-2-[6-[(4-Amino-4-Oxo-Butyl)Amino]Purin-9-Yl]-4-Propanoyloxy-5-(Propanoyloxymethyl)Tetrahydrofuran-3-Yl] Propanoate; Propanoic Acid [(2S,3R,4R,5R)-2-[6-[(4-Amino-4-Oxobutyl)Amino]-9-Purinyl]-4-(1-Oxopropoxy)-5-(1-Oxopropoxymethyl)-3-Tetrahydrofuranyl] Ester; Propionic Acid [(2S,3R,4R,5R)-2-[6-[(4-Amino-4-Keto-Butyl)Amino]Purin-9-Yl]-4-Propionyloxy-5-(Propionyloxymethyl)Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₂₃H₃₂N₆O₈
• Molecular Weight: 520.54
• CAS Registry Number: 104124-23-4
• SMILES: [C@@H]1(O[C@@H]([C@@H](OC(=O)CC)[C@H]1OC(=O)CC)COC(=O)CC)[N]2C3=C(N=C2)C(=NC=N3)NCCCC(=O)N
• InChI: 1S/C23H32N6O8/c1-4-15(31)34-10-13-19(36-16(32)5-2)20(37-17(33)6-3)23(35-13)29-12-28-18-21(26-11-27-22(18)29)25-9-7-8-14(24)30/h11-13,19-20,23H,4-10H2,1-3H3,(H2,24,30)(H,25,26,27)/t13-,19-,20-,23+/m1/s1
• InChIKey: YDAFJDAEPUHFIH-SZNHJCNSSA-N

Properties

• Density: 1.464g/cm³ (Cal.)
• Boiling point: 754.092°C at 760 mmHg (Cal.)
• Flash point: 409.861°C (Cal.)