AG00I9GP

53-59-8 | β-Nicotinamide adenine dinucleotide phosphate

AG00I9GP

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CAS Number	53-59-8
Catalog Number	AG00I9GP(AGN-PC-0SFJVW)
Chemical Name	β-Nicotinamide adenine dinucleotide phosphate
EC Number	200-178-1
IUPAC Name	[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
InChI	InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChI Key	XJLXINKUBYWONI-NNYOXOHSSA-N
MDL Number	MFCD00067537
Molecular Formula	C21H28N7O17P3
Molecular Weight	743.4050
SMILES	O(P(=O)(O)O)[C@H]1[C@@H](O[C@H](COP(OP(OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[N+]=3C=C(C(N)=O)C=CC3)(=O)[O-])(=O)O)[C@H]1O)N4C=5C(N=C4)=C(N)N=CN5
Synonyms	Coenzyme II, Dinucleotide Phosphate, Nicotinamide-Adenine, NADP, NADPH, Nicotinamide Adenine Dinucleotide Phosphate, Nicotinamide-Adenine Dinucleotide Phosphate, Nucleotide, Triphosphopyridine, Phosphate, Nicotinamide-Adenine Dinucleotide, Triphosphopyridine Nucleotide, triphosphopyridine nucleotide, coenzyme II, NADP, Cozymase II, Codehydrogenase II, TPN (nucleotide), Codehydrase II, Nadide phosphate, NAD phosphate, 53-59-8, EINECS 200-178-1, BRN 3885115, nicotinamide adenine dinucleotide phosphate, CHEBI:44409, beta-NADP, Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner salt, beta-TPN, TPN-ox, nadp nicotinamide-adenine-dinucleotide phosphate, Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), 5'->'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt, Pyridinium, 3-carbamoyl-1-beta-D-ribofuranosyl-, hydroxide, 5',5'-ester with adenosine 2'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate), inner salt, TPN+, TPN, nicotinamide adenine dinucleotide-P, Adenine-nicotinamide dinucleotide phosphate, beta-nicotinamide adenine dinucleotide phosphate, NADP zwitterion, beta-Nicotinamide adenine dinucleotide phosphate hydrate, C21H28N7O17P3, .beta.-NADP, AC1L1LCF, SCHEMBL7869, 4-26-00-03672 (Beilstein Handbook Reference), CHEMBL295069, XJLXINKUBYWONI-NNYOXOHSSA-N, MFCD10567218, AN-24411, M045, LS-132321, LS-187075, .beta.-Nicotinamide adenine dinucleotide phosphate, W-203016, 944A1E1D-E8B9-42AF-B61D-7C4242AB099A, ss-Nicotinamide adenine dinucleotide phosphate hydrate, NAPD, b-Nicotinamide adenine dinucleotide phosphate hydrate, potassium salt, 2'-(dihydrogenphosphate),5'.fwdarw.'-adenosine5'-(trihydrogendiphosphate, [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate, [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate, 1-((2R,3R,4S,5R)-5-((((((2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryloxy)oxidophosphoryloxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoylpyridinium, Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'->5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner salt, Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner salt (9CI), Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'.fwdarw.5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner salt, Pyridinium, 3-carbamoyl-1-beta-D-ribofuranosyl-, hydroxide, 5'-5'-ester with adenosine 2'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate), inner salt (8CI), phosphocozymase, Codehydrogenaseii, NADPH, Co II, NADP-K, UNII-BY8P107XEP, Triphosphopyridinenucleotide, D0J2FY, BY8P107XEP, Nucleotide, Triphosphopyridine, CID5885, ACN-053136, C21-H28-N7-O17-P3, 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE, Nicotinamide-adenine dinucleotide phosphate, Dinucleotide Phosphate, Nicotinamide-Adenine, Phosphate, Nicotinamide-Adenine Dinucleotide, D009249, SODIUM beta-NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), 5'.fwdarw.5'-ester with 3-(aminocarbonyl)-1-.beta.-D-ribofuranosylpyridinium hydroxide, inner salt, Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'.fwdarw.5'-ester with 3-(aminocarbonyl)-1-.beta.-D-ribofuranosylpyridinium, inner salt, NAP,

Complexity	1290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	743.075g/mol
Formal Charge	0
Heavy Atom Count	48
Hydrogen Bond Acceptor Count	21
Hydrogen Bond Donor Count	8
Isotope Atom Count	0
Molecular Weight	743.408g/mol
Monoisotopic Mass	743.075g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	368A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-7.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number