(3Z)-4-(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl)-2-hydroxy-3,4-disulfanyl-3-buten-1-yl dihydrogen phosphate
[CAS# 89700-34-5]

Identification

• Name: (3Z)-4-(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl)-2-hydroxy-3,4-disulfanyl-3-buten-1-yl dihydrogen phosphate
• Synonyms: 4(1H)-pteridinone, 2-amino-5,6,7,8-tetrahydro-6-[(1Z)-3-hydroxy-1,2-dimercapto-4-(phosphonooxy)-1-butenyl]-; 4(1H)-Pteridinone, 2-amino-5,6,7,8-tetrahydro-6-[3-hydroxy-1,2-dimercapto-4-(phosphonooxy)-1-butenyl]- (9CI); MPT
• Molecular Formula: C₁₀H₁₆N₅O₆PS₂
• Molecular Weight: 397.37
• CAS Registry Number: 89700-34-5
• SMILES: O=P(O)(O)OCC(O)C(/S)=C(/S)C2N/C1=C(/N/C(=N\C1=O)N)NC2
• InChI: 1S/C10H16N5O6PS2/c11-10-14-8-5(9(17)15-10)13-3(1-12-8)6(23)7(24)4(16)2-21-22(18,19)20/h3-4,13,16,23-24H,1-2H2,(H2,18,19,20)(H4,11,12,14,15,17)/b7-6-
• InChIKey: CLRAAYXCURNDAQ-SREVYHEPSA-N

Properties

• Density: 2.172g/cm³ (Cal.)
• Boiling point: 774.404°C at 760 mmHg (Cal.)
• Flash point: 422.145°C (Cal.)