β-Nicotinamide adenine dinucleotide(53-84-9) IR1
Product Nameβ-Nicotinamide adenine dinucleotide
CAS53-84-9
Molecular FormulaC21H27N7O14P2
Molecular Weight663.43
InChIInChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/s3
InChIKey BAWFJGJZGIEFAR-WFYQBQJJNA-N
SmilesN1(C=NC2C(N)=NC=NC1=2)[C@H]1[C@H](O)[C@H](O)[C@@H](COP(=O)(O)OP([O-])(=O)OC[C@@H]2[C@@H](O)[C@@H](O)[C@H]([N+]3C=CC=C(C(=O)N)C=3)O2)O1 |&1:10,11,13,15,27,28,30,32,r|
