Flavin adenine dinucleotide disodium salt(84366-81-4) 1H NMR
Product NameFlavin adenine dinucleotide disodium salt
CAS84366-81-4
Molecular FormulaC27H34N9NaO15P2
Molecular Weight809.55
InChIInChI=1/C27H33N9O15P2.Na.H/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36;;/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43);;/t14-,15+,16+,19-,20+,21+,26+;;/s3
InChIKey PGEPWKYNISSNIQ-JQOOTDDSNA-N
SmilesC(N1C2=CC(C)=C(C)C=C2N=C2C(NC(=O)N=C12)=O)[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@@H]1[C@H]([C@@H](O)[C@H](N2C=NC3=C(N=CN=C23)N)O1)O.[NaH] |&1:19,21,23,36,37,38,40,r|
