8-Mercapto-FAD
[CAS# 71800-97-0]

Identification

• Name: 8-Mercapto-FAD
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [Hydroxy-[(2R,3S,4S)-2,3,4-Trihydroxy-5-(7-Methyl-2,4-Dioxo-8-Thioxo-1H-Benzo[G]Pteridin-10-Yl)Pentoxy]Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [Hydroxy-[(2R,3S,4S)-2,3,4-Trihydroxy-5-(7-Methyl-2,4-Dioxo-8-Thioxo-1H-Benzo[G]Pteridin-10-Yl)Pentoxy]Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[(2R,3S,4S)-5-(2,4-Diketo-7-Methyl-8-Thioxo-1H-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₂₆H₃₁N₉O₁₅P₂S
• Molecular Weight: 803.59
• CAS Registry Number: 71800-97-0
• SMILES: [C@@H]1(O)[C@H](O)[C@H](O[C@H]1[N]3C2=NC=NC(=C2N=C3)N)CO[P](O[P](OC[C@@H](O)[C@@H](O)[C@@H](O)CN5C4=CC(=S)C(=CC4=NC6=C5NC(=O)NC6=O)C)(O)=O)(O)=O
• InChI: 1S/C26H31N9O15P2S/c1-9-2-10-11(3-15(9)53)34(23-17(31-10)24(41)33-26(42)32-23)4-12(36)18(38)13(37)5-47-51(43,44)50-52(45,46)48-6-14-19(39)20(40)25(49-14)35-8-30-16-21(27)28-7-29-22(16)35/h2-3,7-8,12-14,18-20,25,36-40H,4-6H2,1H3,(H,43,44)(H,45,46)(H2,27,28,29)(H2,32,33,41,42)/t12-,13+,14+,18-,19+,20+,25+/m0/s1
• InChIKey: BFSXQEQVYOVBBZ-GEPAHFMJSA-N

Properties

• Density: 2.174g/cm³ (Cal.)