[[(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 hydrogen phosphate
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[[(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 hydrogen phosphate
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CAS No:
604-79-5
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Formula:
C21H29N7O17P3+
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Chemical 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 hydrogen phosphate
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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;NADP+;NADP;Codehydrase II;coenzyme II;triphosphopyridine nucleotide;NAD phosphate;nicotinamide adenine dinucleotide phosphate;Cozymase II;Nadide phosphate;b-NADP;53-59-8;nicotinamide adenine dinucleotide phosphate (NADP);NADP(+);beta-TPN;Nicotinamide-adenine dinucleotide phosphate;beta-NADP+;BRN 3885115;beta-nicotinamide adenine dinucleotide phosphate;TPN;beta-NADP;Adenine-nicotinamide dinucleotide phosphate;nadp nicotinamide-adenine-dinucleotide phosphate;b-TPN;Spectrum_001530;Spectrum2_000023;Spectrum4_000862;Spectrum5_001481;bmse000263;KBioGR_001523;KBioSS_002010;DivK1c_000706;SPBio_000085;GTPL3045;BDBM11939;CHEBI:18009;KBio1_000706;KBio2_002010;KBio2_004578;KBio2_007146;NINDS_000706;ZINC8214733;IDI1_000706;[[(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 hydrogen phosphate;b-Nicotinamide adenine dinucleotide phosphate;C00006;85890-EP2269977A2;85890-EP2270011A1;85890-EP2272834A1;85890-EP2272972A1;85890-EP2272973A1;85890-EP2277872A1;85890-EP2289891A2;85890-EP2298312A1;85890-EP2298778A1;85890-EP2301929A1;85890-EP2301935A1;85890-EP2305254A1;85890-EP2305648A1;85890-EP2305674A1;85890-EP2305825A1;196162-EP2272972A1;196162-EP2272973A1;196162-EP2277872A1;oxidized nicotinamide-adenine dinucleotide phosphate;Q26987754;beta-nicotinamide adenine dinucleotide phosphate, oxidized form;[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate;1-[5-O-[[(2'-O-Phosphono-5'-adenosyloxy)(oxylato)phosphinyloxy]phosphonyl]-beta-D-ribofuranosyl]-3-carbamoylp
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CAS No:
Description
NADP(+) is a NAD(P)(+) and a NADP. It has a role as a fundamental metabolite and a cofactor. It is a conjugate acid of a NADP zwitterion and a NADP(3-).|Nicotinamide adenine dinucleotide phosphate. A coenzyme composed of ribosylnicotinamide 5'-phosphate (NMN) coupled by pyrophosphate linkage to the 5'-phosphate adenosine 2',5'-bisphosphate. It serves as an electron carrier in a number of reactions, being alternately oxidized (NADP+) and reduced (NADPH). (Dorland, 27th ed)
[[(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 hydrogen phosphate Basic Attributes
744.4 g/mol
744.08327848 g/mol
200-178-1
Characteristics
365 Ų
230.9 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|228.27 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|232.6 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|240.9 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|230.7 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|230.9 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|243.9 Ų [M+H2O-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|231.5 Ų [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|231.8 Ų [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
[[(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 hydrogen phosphate Use and Manufacturing
Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'.fwdarw.5'-ester with 3-(aminocarbonyl)-1-.beta.-D-ribofuranosylpyridinium, inner salt: ACTIVE
Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients
Computed Properties
Molecular Weight:744.4
XLogP3:-7
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:21
Rotatable Bond Count:13
Exact Mass:744.08327848
Monoisotopic Mass:744.08327848
Topological Polar Surface Area:365
Heavy Atom Count:48
Formal Charge:1
Complexity:1300
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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