[(2S,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-4-Hydroxy-2-(1-Phosphonooxyethyl)Oxolan-3-Yl] 2-Aminoacetate
[CAS# 78900-84-2]

Identification

• Name: [(2S,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-4-Hydroxy-2-(1-Phosphonooxyethyl)Oxolan-3-Yl] 2-Aminoacetate
• Synonyms: [(2S,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-4-Hydroxy-2-(1-Phosphonooxyethyl)Tetrahydrofuran-3-Yl] 2-Aminoacetate; 2-Aminoacetic Acid [(2S,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-4-Hydroxy-2-(1-Phosphonooxyethyl)-3-Tetrahydrofuranyl] Ester; 2-Aminoacetic Acid [(2S,3S,4R,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-4-Hydroxy-2-(1-Phosphonooxyethyl)Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₁₃H₁₉N₆O₉P
• Molecular Weight: 434.30
• CAS Registry Number: 78900-84-2
• SMILES: [C@@H]3(O[C@@H]([N]1C2=C(N=C1)C(=O)N=C(N2)N)[C@H](O)[C@@H]3OC(=O)CN)C(O[P](O)(O)=O)C
• InChI: 1S/C13H19N6O9P/c1-4(28-29(23,24)25)8-9(26-5(20)2-14)7(21)12(27-8)19-3-16-6-10(19)17-13(15)18-11(6)22/h3-4,7-9,12,21H,2,14H2,1H3,(H2,23,24,25)(H3,15,17,18,22)/t4?,7-,8-,9+,12-/m1/s1
• InChIKey: IVCCCBMLBBDTPT-HUSOGHGOSA-N

Properties

• Density: 2.2g/cm³ (Cal.)
• Boiling point: 837.683°C at 760 mmHg (Cal.)
• Flash point: 460.414°C (Cal.)