Basic information
- CAS
5502-96-5- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H]([n+]3cccc(C(=O)O)c3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O- InChIKey
QOTXBMGJKFVZRD-HISDBWNOSA-O- Molecular formula
- C21H28N6O18P3+
- Average molar mass
- 745.4 g/mol
- Monoisotopic mass
- 745.06729406
Overview
Nicotinic acid-adenine dinucleotide phosphate is a nicotinic acid dinucleotide that is NADP+ in which the carboxamide group on the pyridine ring is replaced by a carboxy group. It has a role as a metabolite, a calcium channel agonist and a signalling molecule. It is functionally related to a NADP(+). It is a conjugate acid of a nicotinate-adenine dinucleotide phosphate(4-).
Names & identifiers
- Preferred name
- Naadp+
- IUPAC
- 1-[(2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxylic acid
- English name
- Siloxanes and Silicones, di-Me, reaction products with N-3-(trimethoxysilyl)propylcyclohexanamine
- Molecular formula
- C21H28N6O18P3+
- Molecular weight
- 745.397703
Names & synonyms
NAADP+5502-96-5beta-NAADPDN4nicotinic acid-adenine dinucleotide phosphate119299-06-8NAADP(1+)GTPL2450SCHEMBL20162473SCHEMBL29355697CHEBI:76072QOTXBMGJKFVZRD-HISDBWNOSA-O
Show more names
Siloxanes and Silicones, di-Me, reaction products with N-3-(trimethoxysilyl)propylcyclohexanamine
NS00074253nicotinic acid-adenine dinucleotide phosphate(1+)Q905651[[(2r,3r,4r,5r)-5-(6-Aminopurin-9-Yl)-3-Oxidanyl-4-Phosphonooxy-Oxolan-2-Yl]methoxy-Oxidanyl-Phosphoryl][(2r,3s,4r,5r)-5-(3-Carboxypyridin-1-Ium-1-Yl)-3,4-Bis(Oxidanyl)oxolan-2-Yl]methyl Phosphate2'-O-phosphonoadenosine 5'-{3-[1-(3-carboxypyridinio)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate}
Database identifiers
- CAS
5502-96-5- PubChem CID
- 123953
- ChEBI
CHEBI:76072- EC Number
- 637-221-2
Properties
Computed structural properties
- XLogP
- -6.4
- Topological polar surface area
- 359 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 13
- Heavy atoms
- 48
- Formal charge
- 1
- Complexity
- 1,300
Experimental & physicochemical properties
Collision Cross Section230.5 Ų [M-H]-
Physicochemical properties
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H315-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Additional notes
DefinitionChEBI: Nicotinic acid-adenine dinucleotide phosphate is a nicotinic acid dinucleotide that is NADP(+) in which the carboxamide group on the pyridine ring is replaced by a carboxy group. It has a role as a calcium channel agonist, a signalling molecule and a metabolite. It is functionally related to a NADP(+). It is a conjugate acid of a nicotinate-adenine dinucleotide phosphate(4-).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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