71800-97-0 (8-mercapto-FAD,Riboflavin 5'-(trihydrogen diphosphate), 8-demethyl-8-mercapto-, P'→5'-ester with adenosine (9CI))

快速询单

结构式：

8-mercapto-FADMOL文件

CAS号：

71800-97-0

中文名称：

8-mercapto-FAD

英文名称：

Riboflavin 5'-(trihydrogen diphosphate), 8-demethyl-8-mercapto-, P'→5'-ester with adenosine (9CI)

分子式：

C₂₆H₃₁N₉O₁₅P₂S

分子量：

803.588165521622

8-mercapto-FAD(71800-97-0)名称与标识符

名称

英文别名：

LogP;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-2,3,4-trihydroxy-5-(7-methyl-2,4-dioxo-8-sulfanylidene-1H-benzo[g]pteridin-10-yl)pentyl] hydrogen ;8-mercapto-FAD;5'-ester with adenosine (9CI);Riboflavin5'-(trihydrogen diphosphate), 8-demethyl-8-mercapto-, P'® 8-mercapto-FAD ;Benzo[g]pteridine, riboflavin 5'-(trihydrogen diphosphate) deriv.;Riboflavin 5'-(trihydrogen diphosphate), 8-demethyl-8-mercapto-, P'→5'-ester with adenosine (9CI);71800-97-0;C26-H31-N9-O15-P2-S;Riboflavin 5'-(trihydrogen diphosphate), 8-demethyl-8-mercapto-, P'-5'-ester with adenosine;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-2,3,4-trihydroxy-5-(7-methyl-2,4-dioxo-8-sulfanylidene-1H-benzo[g]pteridin-10-yl)pentyl] hydrogen phosphate;C26H31N9O15P2S;8-MercaptoFAD;

标识符

InChIKey：

BFSXQEQVYOVBBZ-GEPAHFMJSA-N

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

SMILES：

S=C1C(C)=CC2C(=C1)N(C1=C(C(NC(N1)=O)=O)N=2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O)O)O)O