3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE

CAS No.
86-08-8
CCD No.
CCD00049956
Formula
C22 H28 N6 O14 P2
MolWeight
662.439

Basic Information

Product Name: 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE
CAS: 86-08-8
English Synonyms: 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE ; 3-ACETYLPYRIDINE NAD ; 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE, REDUCED FORM ; APAD
MDL Number.: MFCD00078882
H bond acceptor: 20
H bond donor: 6
Smile: CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O
InChi: InChI=1S/C22H28N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1
InChiKey: InChIKey=KPVQNXLUPNWQHM-RBEMOOQDSA-N

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