57818-88-9 (5-Deaza-FAD,Adenosine 5'-(trihydrogen diphosphate), P'→5-ester with 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxopyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol)

快速询单

结构式：

5-Deaza-FADMOL文件

CAS号：

57818-88-9

中文名称：

5-Deaza-FAD

英文名称：

Adenosine 5'-(trihydrogen diphosphate), P'→5-ester with 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxopyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol

分子式：

C₂₈H₃₄N₈O₁₅P₂

分子量：

784.56168794632

5-Deaza-FAD(57818-88-9)名称与标识符

名称

英文别名：

1-deaza-FAD;5-ester with1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxopyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol;Adenosine5'-(trihydrogen diphosphate), P'®Deazafad;5-Deazariboflavin-5'-diphosphate;5-DeazaFAD; 5-Deazaflavin adenine dinucleotide ; 5-Deaza-FAD;Pyrimido[4,5-b]quinoline, adenosine 5'-(trihydrogen diphosphate) deriv.;Adenosine 5'-(trihydrogen diphosphate), P'→5-ester with 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxopyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol;5-Deaza-FAD;5-Deazaflavin adenine dinucleotide;

标识符

InChIKey：

GLDULYQMIPGSPD-AUSFFQRRSA-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

SMILES：

P(=O)(O)(OP(=O)(O)OC[C@H]([C@H]([C@H](CN1C2C(C(NC(N=2)=O)=O)=CC2C=C(C)C(C)=CC1=2)O)O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O