O-beta-Ribosyl(1''-2')Adenosine-5''-Phosphate
[CAS# 28050-13-7]

Identification

• Name: O-beta-Ribosyl(1''-2')Adenosine-5''-Phosphate
• Synonyms: [(2R,3S,4R,5S)-5-[(2R,3R,4R,5R)-2-(6-Aminopurin-9-Yl)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-3-Yl]Oxy-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5S)-5-[[(2R,3R,4R,5R)-2-(6-Amino-9-Purinyl)-4-Hydroxy-5-(Hydroxymethyl)-3-Tetrahydrofuranyl]Oxy]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5S)-5-[(2R,3R,4R,5R)-2-(6-Aminopurin-9-Yl)-4-Hydroxy-5-Methylol-Tetrahydrofuran-3-Yl]Oxy-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₁₅H₂₂N₅O₁₁P
• Molecular Weight: 479.34
• CAS Registry Number: 28050-13-7
• SMILES: [C@@H]4(O[C@H]1[C@@H](O[C@@H]([C@H]1O)CO)[N]2C3=C(N=C2)C(=NC=N3)N)O[C@@H]([C@@H](O)[C@H]4O)CO[P](=O)(O)O
• InChI: 1S/C15H22N5O11P/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(9(23)5(1-21)29-14)31-15-10(24)8(22)6(30-15)2-28-32(25,26)27/h3-6,8-11,14-15,21-24H,1-2H2,(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1
• InChIKey: OTKILVSIHNCMGB-ZQSHOCFMSA-N

Properties

• Density: 2.295g/cm³ (Cal.)
• Boiling point: 947.409°C at 760 mmHg (Cal.)
• Flash point: 526.774°C (Cal.)