6-Hydroxy-Fad
[CAS# 52301-43-6]

Identification

• Name: 6-Hydroxy-Fad
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[(2S,3R,4R)-5-(7,8-Dimethyl-2,4,6-Trioxo-1H-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 [[(2S,3R,4R)-5-(7,8-Dimethyl-2,4,6-Trioxo-1H-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxypentoxy]-Hydroxyphosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [Hydroxy-[(2S,3R,4R)-2,3,4-Trihydroxy-5-(2,4,6-Triketo-7,8-Dimethyl-1H-Benzo[G]Pteridin-10-Yl)Pentoxy]Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₂₇H₃₃N₉O₁₆P₂
• Molecular Weight: 801.56
• CAS Registry Number: 52301-43-6
• 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(=C(C(=O)C4=NC6=C5NC(=O)NC6=O)C)C)(O)=O)(O)=O
• InChI: 1S/C27H33N9O16P2/c1-9-3-11-15(18(39)10(9)2)32-17-24(33-27(44)34-25(17)43)35(11)4-12(37)19(40)13(38)5-49-53(45,46)52-54(47,48)50-6-14-20(41)21(42)26(51-14)36-8-31-16-22(28)29-7-30-23(16)36/h3,7-8,12-14,19-21,26,37-38,40-42H,4-6H2,1-2H3,(H,45,46)(H,47,48)(H2,28,29,30)(H2,33,34,43,44)/t12-,13+,14-,19-,20-,21-,26-/m1/s1
• InChIKey: UEPZLIXOILSTAA-YBWNCORNSA-N

Properties

• Density: 2.146g/cm³ (Cal.)