Adenosine, 5'-[hydrogen(sulfomethyl)phosphonate]
[CAS# 120975-36-2]

Identification

• Name: Adenosine, 5'-[hydrogen(sulfomethyl)phosphonate]
• Synonyms: [[(2R,3S,4R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Methanesulfonic Acid; [[(2R,3S,4R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Methanesulfonic Acid; [[(2R,3S,4R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl]Methanesulfonic Acid
• Molecular Formula: C₁₁H₁₆N₅O₉PS
• Molecular Weight: 425.31
• CAS Registry Number: 120975-36-2
• SMILES: [C@H]1(O)C(O[C@@H]([C@H]1O)CO[P](=O)(O)C[S](=O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C11H16N5O9PS/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-26(19,20)4-27(21,22)23/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H2,12,13,14)(H,21,22,23)/t5-,7-,8-,11?/m1/s1
• InChIKey: KHJWGJQWZBBXEI-YNJARDAQSA-N

Properties

• Density: 2.287g/cm³ (Cal.)