7,8-Dihydroneopterin 3'-triphosphate
[CAS# 20574-65-6]

Identification

• Name: 7,8-Dihydroneopterin 3'-triphosphate
• Synonyms: [(2R,3S)-3-(2-Amino-4-Oxo-7,8-Dihydro-1H-Pteridin-6-Yl)-2,3-Dihydroxy-Propyl] (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S)-3-(2-Amino-4-Keto-7,8-Dihydro-1H-Pteridin-6-Yl)-2,3-Dihydroxy-Propyl] (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; Triphosphoric Acid, P-(3-(2-Amino-1,4,7,8-Tetrahydro-4-Oxo-6-Pteridinyl)-2,3-Dihydroxypropyl) Ester, (R*,S*)-
• Molecular Formula: C₉H₁₆N₅O₁₃P₃
• Molecular Weight: 495.17
• CAS Registry Number: 20574-65-6
• SMILES: [C@H](C2=NC1=C(NC(=NC1=O)N)NC2)([C@@H](CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)O)O
• InChI: 1S/C9H16N5O13P3/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/h4,6,15-16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,10,11,13,14,17)/t4-,6+/m1/s1
• InChIKey: DGGUVLXVLHAAGT-XINAWCOVSA-N

Properties

• Density: 2.612g/cm³ (Cal.)
• Boiling point: 883.634°C at 760 mmHg (Cal.)
• Flash point: 488.204°C (Cal.)