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5-Deazaflavinadenine dinucleotide
[CAS# 57818-88-9]

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CAS#: 57818-88-9
Product: 5-Deazaflavinadenine dinucleotide
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Identification
Name 5-Deazaflavinadenine dinucleotide
Synonyms [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[(2R,3S,4S)-5-(7,8-Dimethyl-2,4-Dioxo-Pyrimido[4,5-B]Quinolin-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-(7,8-Dimethyl-2,4-Dioxo-10-Pyrimido[4,5-B]Quinolinyl)-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-(2,4-Diketo-7,8-Dimethyl-Pyrimido[4,5-B]Quinolin-10-Yl)-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] Hydrogen Phosphate
Molecular Structure CAS#: 57818-88-9, 5-Deazaflavinadenine dinucleotide
Molecular Formula C28H34N8O15P2
Molecular Weight 784.57
CAS Registry Number 57818-88-9
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=CC4=C3C=C(C(=C4)C)C)(=O)O)(=O)O)[N]5C6=C(N=C5)C(=NC=N6)N
InChI 1S/C28H34N8O15P2/c1-11-3-13-5-14-24(33-28(43)34-26(14)42)35(15(13)4-12(11)2)6-16(37)20(39)17(38)7-48-52(44,45)51-53(46,47)49-8-18-21(40)22(41)27(50-18)36-10-32-19-23(29)30-9-31-25(19)36/h3-5,9-10,16-18,20-22,27,37-41H,6-8H2,1-2H3,(H,44,45)(H,46,47)(H2,29,30,31)(H,34,42,43)/t16-,17+,18+,20-,21+,22+,27+/m0/s1
InChIKey GLDULYQMIPGSPD-AUSFFQRRSA-N
Properties
Density 2.024g/cm3 (Cal.)
Market Analysis Reports
List of Reports Available for 5-Deazaflavinadenine dinucleotide
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