2-Amino-9-[(4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-8-(Pyren-2-Ylamino)-3H-Purin-6-One
[CAS# 134249-04-0]

Identification

• Name: 2-Amino-9-[(4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-8-(Pyren-2-Ylamino)-3H-Purin-6-One
• Synonyms: 2-Amino-9-[(4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-8-(Pyren-2-Ylamino)-3H-Purin-6-One; 2-Amino-9-[(4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-8-(2-Pyrenylamino)-3H-Purin-6-One; 2-Amino-9-[(4S,5R)-4-Hydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-8-(Pyren-2-Ylamino)-3H-Purin-6-One
• Molecular Formula: C₂₆H₂₂N₆O₄
• Molecular Weight: 482.50
• CAS Registry Number: 134249-04-0
• SMILES: [C@H]1([C@H](CC(O1)[N]2C(=NC3=C2NC(=NC3=O)N)NC6=CC5=CC=C4C=CC=C7C4=C5C(=C6)C=C7)O)CO
• InChI: 1S/C26H22N6O4/c27-25-30-23-22(24(35)31-25)29-26(32(23)19-10-17(34)18(11-33)36-19)28-16-8-14-6-4-12-2-1-3-13-5-7-15(9-16)21(14)20(12)13/h1-9,17-19,33-34H,10-11H2,(H,28,29)(H3,27,30,31,35)/t17-,18+,19?/m0/s1
• InChIKey: NVPDSZPWJFLMIC-PAMZHZACSA-N

Properties

• Density: 1.75g/cm³ (Cal.)
• Boiling point: 881.833°C at 760 mmHg (Cal.)
• Flash point: 487.115°C (Cal.)