Adenosine tetraphosphate
Basic information
- CAS
1062-98-2- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O- InChIKey
WWMWAMFHUSTZTA-KQYNXXCUSA-N- Molecular formula
- C10H17N5O16P4
- Average molar mass
- 587.16 g/mol
- Monoisotopic mass
- 586.96207746
Overview
Adenosine 5'-(pentahydrogen tetraphosphate) is a purine ribonucleoside 5'-tetraphosphate having adenine as the nucleobase. It is a purine ribonucleoside 5'-tetraphosphate and an adenosine 5'-phosphate. It is a conjugate acid of an adenosine 5'-tetraphosphate(5-).
Names & identifiers
- Preferred name
- Adenosine tetraphosphate
- IUPAC
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
- English name
- adenosine 5'-tetraphosphate
- Molecular formula
- C10H17N5O16P4
- Molecular weight
- 587.16
Names & synonyms
adenosine tetraphosphate[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate(((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) (hydroxy(phosphonooxy)phosphoryl) hydrogen phosphateRefChem:1076180Adenosine 5'-tetraphosphate1062-98-2ADENOSINE 5'-(PENTAHYDROGEN TETRAPHOSPHATE)Atetra PAdenosine-5'-Tetraphosphate1062-98-2 (free acid)ATPPDBK98M4ZT7
Show more names
Adenosine-5'-tetraphosphoric acidAdenosine 5'-tetraphosphoric acidADENOSINE 5 -(PENTAHYDROGEN TETRAPHOSPHATE) 5 '...Adenosine 5'-?(Pentahydrogen tetraphosphate) DISCONTINUED
P4ABRN 0075879DTXSID901261206{[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}phosphonic acidUNII-DBK98M4ZT7orb640764-26-00-03658 (Beilstein Handbook Reference)SCHEMBL376008
Properties
Computed structural properties
- XLogP
- -6.8
- Topological polar surface area
- 326 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 967
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 1020.7 · 1020.7±75.0 °C(Predicted)
- Density
- 2.74 · 2.74±0.1 g/cm3(Predicted)
- pka
- 0.73 · 0.73±0.50(Predicted)
- FDA UNII
- 98 M4ZT7 · DBK98M4ZT7
Chemistry & industry
Pharmacology
Tissue LocationsAdrenal Medulla
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: Adenosine 5'-(pentahydrogen tetraphosphate) is a purine ribonucleoside 5'-tetraphosphate having adenine as the nucleobase. It is an adenosine 5'-phosphate and a purine ribonucleoside 5'-tetraphosphate. It is a conjugate acid of an adenosine 5'-tetraphosphate(5-).
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