THIONICOTINAMIDE ADENINE DINUCLEOTIDE

CAS No.
4090-29-3
CCD No.
CCD00050384
Formula
C21 H27 N7 O13 P2 S
MolWeight
679.494

Basic Information

Product Name: THIONICOTINAMIDE ADENINE DINUCLEOTIDE
CAS: 4090-29-3
English Synonyms: BETA-THIONICOTINAMIDE ADENINE DINUCLEOTIDE ; THIONICOTINAMIDE-DPN ; THIONICOTINAMIDE ADENINE DINUCLEOTIDE ; THIO-NAD
MDL Number.: MFCD00079609
H bond acceptor: 20
H bond donor: 7
Smile: c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)C(=S)N
InChi: InChI=1S/C21H27N7O13P2S/c22-17-12-19(25-7-24-17)28(8-26-12)21-14(31)13(30)11(39-21)6-37-42(33,34)41-43(35,36)40-16-10(5-29)38-20(15(16)32)27-3-1-2-9(4-27)18(23)44/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,44)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChiKey: InChIKey=DQRRIGAXTAXHLR-NNYOXOHSSA-N

Property

Safety information

WGK Germany: 3

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