[(2R,3S)-3-(2-Amino-4-Oxo-1H-Pteridin-6-Yl)-2,3-Dihydroxypropyl] (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 35300-26-6]

Identification

• Name: [(2R,3S)-3-(2-Amino-4-Oxo-1H-Pteridin-6-Yl)-2,3-Dihydroxypropyl] (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3S)-3-(2-Amino-4-Oxo-1H-Pteridin-6-Yl)-2,3-Dihydroxy-Propyl] (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S)-3-(2-Amino-4-Keto-1H-Pteridin-6-Yl)-2,3-Dihydroxy-Propyl] (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; D-3'-Ntp
• Molecular Formula: C₉H₁₄N₅O₁₃P₃
• Molecular Weight: 493.16
• CAS Registry Number: 35300-26-6
• SMILES: [C@@H](CO[P](O[P](O[P](=O)(O)O)(=O)O)(O)=O)([C@@H](O)C2=NC1=C(NC(=NC1=O)N)N=C2)O
• InChI: 1S/C9H14N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h1,4,6,15-16H,2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,10,11,13,14,17)/t4-,6+/m1/s1
• InChIKey: IYHSQHAHJGLHJH-XINAWCOVSA-N

Properties

• Density: 2.601g/cm³ (Cal.)
• Boiling point: 966.426°C at 760 mmHg (Cal.)
• Flash point: 538.275°C (Cal.)