2-Amino-9-[(4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-3-Methylideneoxolan-2-Yl]-3H-Purin-6-One
[CAS# 141320-64-1]

Identification

• Name: 2-Amino-9-[(4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-3-Methylideneoxolan-2-Yl]-3H-Purin-6-One
• Synonyms: 2-Amino-9-[(4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-3-Methylene-Tetrahydrofuran-2-Yl]-3H-Purin-6-One; 2-Amino-9-[(4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-3-Methylene-2-Tetrahydrofuranyl]-3H-Purin-6-One; 2-Amino-9-[(4S,5R)-4-Hydroxy-3-Methylene-5-Methylol-Tetrahydrofuran-2-Yl]-3H-Purin-6-One
• Molecular Formula: C₁₁H₁₃N₅O₄
• Molecular Weight: 279.25
• CAS Registry Number: 141320-64-1
• SMILES: [C@@H]1(C(C(O[C@@H]1CO)[N]3C2=C(C(N=C(N2)N)=O)N=C3)=C)O
• InChI: 1S/C11H13N5O4/c1-4-7(18)5(2-17)20-10(4)16-3-13-6-8(16)14-11(12)15-9(6)19/h3,5,7,10,17-18H,1-2H2,(H3,12,14,15,19)/t5-,7+,10?/m1/s1
• InChIKey: APRPLJLTQGFZER-DCTVEYNDSA-N

Properties

• Density: 1.948g/cm³ (Cal.)
• Boiling point: 709.739°C at 760 mmHg (Cal.)
• Flash point: 383.036°C (Cal.)