chempirical

Adenosine triphosphate

C10H16N5O13P3CAS 56-65-5507.18 g/mol

Open in Covalent MOL file
H2NNNNNOOPOHOOPOOHOPOOHOHOHHO
AlcoholEtherPhosphatePrimary amine

Properties

Molecular formula
C10H16N5O13P3
Molar mass
507.18 g/mol
Exact mass
506.9957 Da
logP
-1.63Crippen estimate
Polar surface area
279.1 Ų
H-bond donors / acceptors
7 / 13
Rotatable bonds
8
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
56-65-5
SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
InChIKey
ZKHQWZAMYRWXGA-KQYNXXCUSA-N
InChI
InChI=1S/C10H16N5O13P3/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)/t4-,6-,7-,10-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

24 names · show all
  • Adenosine 5′-(tetrahydrogen triphosphate)
  • Adenosine 5′-triphosphate
  • Adenosine 5′-triphosphoric acid
  • Atipi
  • ATP (nucleotide)
  • 5′-ATP
  • Atriphos
  • Striadyne
  • Triphosphoric acid adenosine ester
  • Adenylpyrophosphoric acid
  • Adetol
  • Triadenyl
  • Adephos
  • Triphosphaden
  • Adynol
  • Glucobasin
  • ATP
  • Cardenosine
  • Adenosine, 5′-(tetrahydrogen triphosphate)
  • Fosfobion
  • Myotriphos
  • Phosphobion
  • 5: PN: WO2010069064 FIGURE: 3A claimed sequence
  • Adenosine-5′-triphosphate

Work with Adenosine triphosphate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Adenosine diphosphate58-64-096 % similar Vidarabine phosphate29984-33-680 % similar Adenosine monophosphate61-19-880 % similar Sodium adenosine 5′-diphosphate20398-34-973 % similar Deoxyadenosine triphosphate1927-31-772 % similar Atp disodium987-65-571 % similar Cyclic adenosine monophosphate60-92-470 % similar Amp sodium salt13474-03-865 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia