1,4,5,6-Tetrahydronicotinamide adenine dinucleotide

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(5-carbamoyl-3,4-dihydro-2H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

Also Known As: Tetrahydro-NAD|Nicotinamide-Adenine-Dinucleotide|Sid 746790|KST-1A4199|1,4,5,6-Tetrahydronicotinamide adenine dinucleotide|1,4-Dihydronicotinamide adenine dinucleotide|NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)|beta-6-hydroxy-1,4,5,6-tetrhydronicotinamide adenine dinucleotide|[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl][(2r,3s,4r,5r)-5-(3-carbamoyl-5,6-dihydro-4h-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate|[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(5-carbamoyl-3,4-dihydro-2H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate|Adenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 1,4,5,6-tetrahydro-1-beta-D- ribofuranosyl-3-pyridinecarboxamide|adenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 1,4,5,6-tetrahydro-1-beta-D-ribofuranosyl-3-pyridinecarboxamide|NAD|NAI|NAJ|NAX|TXD

Molecular Formula	C21H31N7O14P2
Molecular Weight	667.14044 g/mol
LogP	-5.8
Topological Polar Surface Area	318.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	19
Rotatable Bonds	11
Exact Mass	667.14044
Monoisotopic Mass	667.14044
Heavy Atoms	44
Complexity	1190.0

Chemical Identifiers

CAS Number	35970-06-0
SMILES	C1CC(=CN(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)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N
InChIKey	TXDOUQMFGDSHDX-NNYOXOHSSA-N