[(E)-3,4-Bis[(2-Amino-2-Oxoethyl)Sulfanyl]-4-(2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pteridin-6-Yl)-2-Hydroxybut-3-Enyl] Dihydrogen Phosphate
[CAS# 111589-64-1]

Identification

• Name: [(E)-3,4-Bis[(2-Amino-2-Oxoethyl)Sulfanyl]-4-(2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pteridin-6-Yl)-2-Hydroxybut-3-Enyl] Dihydrogen Phosphate
• Synonyms: [(E)-3,4-Bis[(2-Amino-2-Oxo-Ethyl)Sulfanyl]-4-(2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pteridin-6-Yl)-2-Hydroxy-But-3-Enyl] Dihydrogen Phosphate; [(E)-3,4-Bis[(2-Amino-2-Oxoethyl)Thio]-4-(2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pteridin-6-Yl)-2-Hydroxybut-3-Enyl] Dihydrogen Phosphate; [(E)-3,4-Bis[(2-Amino-2-Keto-Ethyl)Thio]-4-(2-Amino-4-Keto-5,6,7,8-Tetrahydro-1H-Pteridin-6-Yl)-2-Hydroxy-But-3-Enyl] Dihydrogen Phosphate
• Molecular Formula: C₁₄H₂₂N₇O₈PS₂
• Molecular Weight: 511.46
• CAS Registry Number: 111589-64-1
• SMILES: C(O[P](=O)(O)O)C(O)/C(SCC(=O)N)=C(SCC(=O)N)/C1NC2=C(NC1)NC(=NC2=O)N
• InChI: 1S/C14H22N7O8PS2/c15-7(23)3-31-10(5-1-18-12-9(19-5)13(25)21-14(17)20-12)11(32-4-8(16)24)6(22)2-29-30(26,27)28/h5-6,19,22H,1-4H2,(H2,15,23)(H2,16,24)(H2,26,27,28)(H4,17,18,20,21,25)/b11-10+
• InChIKey: BZZHCWODYYTYSS-ZHACJKMWSA-N

Properties

• Density: 2.072g/cm³ (Cal.)
• Boiling point: 961.516°C at 760 mmHg (Cal.)
• Flash point: 535.306°C (Cal.)