Adenosine triphosphate disodiumProduct ingredient for ATP
- Name
- Adenosine triphosphate disodium
- Drug Entry
- ATP
An adenine nucleotide containing three phosphate groups esterified to the sugar moiety. In addition to its crucial roles in metabolism adenosine triphosphate is a neurotransmitter.
- Accession Number
- DBSALT002406
- Structure
Structure for Adenosine triphosphate disodium (DBSALT002406)
- Synonyms
- Adenosine 5'-(disodium triphosphate) / Adenosine 5'-triphosphate disodium salt / Adenosine-5'-triphosphate disodium salt / ATP disodium salt / Disodium adenosine 5'-triphosphate / Disodium adenosine triphosphate
- UNII
- 5L51B4DR1G
- CAS Number
- 987-65-5
- Weight
- Average: 551.145
Monoisotopic: 550.95963508 - Chemical Formula
- C10H14N5Na2O13P3
- InChI Key
- TTWYZDPBDWHJOR-IDIVVRGQSA-L
- InChI
- InChI=1S/C10H16N5O13P3.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1
- IUPAC Name
- disodium hydrogen [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphono)oxy]phosphonate
- SMILES
- [Na+].[Na+].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP([O-])(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O
- External Links
- ChemSpider
- 13206
- ChEBI
- 50732
- ChEMBL
- CHEMBL2106579
- Predicted Properties
Property Value Source Water Solubility 4.52 mg/mL ALOGPS logP -0.53 ALOGPS logP -5.8 Chemaxon logS -2.1 ALOGPS pKa (Strongest Acidic) 0.9 Chemaxon pKa (Strongest Basic) 4.01 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 14 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 284.79 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 93.57 m3·mol-1 Chemaxon Polarizability 37.87 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon