[(2R,5S)-2-(2-Amino-6-Oxo-3H-Purin-9-Yl)-5-(Phosphonooxymethyl)-2,5-Dihydrofuran-3-Yl] 4-(Benzoyl)Benzoate
[CAS# 137154-74-6]

Identification

• Name: [(2R,5S)-2-(2-Amino-6-Oxo-3H-Purin-9-Yl)-5-(Phosphonooxymethyl)-2,5-Dihydrofuran-3-Yl] 4-(Benzoyl)Benzoate
• Synonyms: 4-(Oxo-Phenylmethyl)Benzoic Acid [(2R,5S)-2-(2-Amino-6-Oxo-3H-Purin-9-Yl)-5-(Phosphonooxymethyl)-2,5-Dihydrofuran-3-Yl] Ester; 4-(Benzoyl)Benzoic Acid [(2R,5S)-2-(2-Amino-6-Keto-3H-Purin-9-Yl)-5-(Phosphonooxymethyl)-2,5-Dihydrofuran-3-Yl] Ester; [(2R,5S)-2-(2-Amino-6-Oxo-3H-Purin-9-Yl)-5-(Phosphonooxymethyl)-2,5-Dihydrofuran-3-Yl] 4-Phenylcarbonylbenzoate
• Molecular Formula: C₂₄H₂₀N₅O₉P
• Molecular Weight: 553.42
• CAS Registry Number: 137154-74-6
• SMILES: [C@H]1(O[C@@H](C=C1OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3)CO[P](O)(O)=O)[N]4C5=C(N=C4)C(=O)N=C(N5)N
• InChI: 1S/C24H20N5O9P/c25-24-27-20-18(21(31)28-24)26-12-29(20)22-17(10-16(37-22)11-36-39(33,34)35)38-23(32)15-8-6-14(7-9-15)19(30)13-4-2-1-3-5-13/h1-10,12,16,22H,11H2,(H2,33,34,35)(H3,25,27,28,31)/t16-,22+/m0/s1
• InChIKey: XOZMFXGWTIFWGN-KSFYIVLOSA-N

Properties

• Density: 1.724g/cm³ (Cal.)
• Boiling point: 927.384°C at 760 mmHg (Cal.)
• Flash point: 514.664°C (Cal.)