2-Amino-6-(1,2,3-Trihydroxypropyl)-5,6,7,8-Tetrahydro-1H-Pteridin-4-One
[CAS# 25976-00-5]

Identification

• Name: 2-Amino-6-(1,2,3-Trihydroxypropyl)-5,6,7,8-Tetrahydro-1H-Pteridin-4-One
• Synonyms: Tetrahydroneopterin; 2-Amino-5,6,7,8-Tetrahydro-6-(1,2,3-Trihydroxypropyl)-4(1H)-Pteridinone; 5,6,7,8-Tetrahydroneopterin
• Molecular Formula: C₉H₁₅N₅O₄
• Molecular Weight: 257.25
• CAS Registry Number: 25976-00-5
• SMILES: C(C(C(C2NC1=C(NC(=NC1=O)N)NC2)O)O)O
• InChI: 1S/C9H15N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h3-4,6,12,15-17H,1-2H2,(H4,10,11,13,14,18)
• InChIKey: XHIXPVCTDRNTTC-UHFFFAOYSA-N

Properties

• Density: 2.053g/cm³ (Cal.)
• Boiling point: 636.79°C at 760 mmHg (Cal.)
• Flash point: 338.918°C (Cal.)