[(2R,3S,4R,5S)-5-[(2R,3R,4R,5R)-2-(2-Amino-6-Oxo-3H-Purin-9-Yl)-4-Hydroxy-5-(Hydroxymethyl)Oxolan-3-Yl]Oxy-3,4-Dihydroxyoxolan-2-Yl]Methyl Dihydrogen Phosphate
[CAS# 131293-20-4]

Identification

• Name: [(2R,3S,4R,5S)-5-[(2R,3R,4R,5R)-2-(2-Amino-6-Oxo-3H-Purin-9-Yl)-4-Hydroxy-5-(Hydroxymethyl)Oxolan-3-Yl]Oxy-3,4-Dihydroxyoxolan-2-Yl]Methyl Dihydrogen Phosphate
• Synonyms: [(2R,3S,4R,5S)-5-[(2R,3R,4R,5R)-2-(2-Amino-6-Oxo-3H-Purin-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-(2-Amino-6-Oxo-3H-Purin-9-Yl)-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-(2-Amino-6-Keto-3H-Purin-9-Yl)-4-Hydroxy-5-Methylol-Tetrahydrofuran-3-Yl]Oxy-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₁₅H₂₂N₅O₁₂P
• Molecular Weight: 495.34
• CAS Registry Number: 131293-20-4
• SMILES: [C@@H]2(O[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)CO[P](O)(O)=O)[C@H](O)[C@H](O[C@H]2[N]3C4=C(N=C3)C(=O)N=C(N4)N)CO
• InChI: 1S/C15H22N5O12P/c16-15-18-11-6(12(25)19-15)17-3-20(11)13-10(8(23)4(1-21)30-13)32-14-9(24)7(22)5(31-14)2-29-33(26,27)28/h3-5,7-10,13-14,21-24H,1-2H2,(H2,26,27,28)(H3,16,18,19,25)/t4-,5-,7-,8-,9-,10-,13-,14+/m1/s1
• InChIKey: TVGUROHJABCRTB-MHJQXXNXSA-N

Properties

• Density: 2.404g/cm³ (Cal.)
• Boiling point: 1022.312°C at 760 mmHg (Cal.)
• Flash point: 572.074°C (Cal.)