8-Chloro-Fad
[CAS# 68385-36-4]

Identification

• Name: 8-Chloro-Fad
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[(2R,3S,4S)-5-(8-Chloro-7-Methyl-2,4-Dioxo-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [[(2R,3S,4S)-5-(8-Chloro-7-Methyl-2,4-Dioxo-10-Benzo[G]Pteridinyl)-2,3,4-Trihydroxypentoxy]-Hydroxyphosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[(2R,3S,4S)-5-(8-Chloro-2,4-Diketo-7-Methyl-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₂₆H₃₀ClN₉O₁₅P₂
• Molecular Weight: 805.97
• CAS Registry Number: 68385-36-4
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](OC[C@@H](O)[C@@H](O)[C@@H](O)CN3C2=NC(=O)NC(=O)C2=NC4=C3C=C(Cl)C(=C4)C)(=O)O)(=O)O)[N]5C6=C(N=C5)C(=NC=N6)N
• InChI: 1S/C26H30ClN9O15P2/c1-9-2-11-12(3-10(9)27)35(23-17(32-11)24(42)34-26(43)33-23)4-13(37)18(39)14(38)5-48-52(44,45)51-53(46,47)49-6-15-19(40)20(41)25(50-15)36-8-31-16-21(28)29-7-30-22(16)36/h2-3,7-8,13-15,18-20,25,37-41H,4-6H2,1H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t13-,14+,15+,18-,19+,20+,25+/m0/s1
• InChIKey: WAJIYEWYQUYXST-FFEKMDIOSA-N

Properties

• Density: 2.176g/cm³ (Cal.)