ChemSpider 2D Image | Adenosine triphosphate | C10H16N5O13P3

Adenosine triphosphate

  • Molecular FormulaC10H16N5O13P3
  • Average mass507.181 Da
  • Monoisotopic mass506.995758 Da
  • ChemSpider ID5742
  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Adenosine triphosphate [Wiki]
200-283-2 [EINECS]
213-579-1 [EINECS]
56-65-5 [RN]
9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-9H-purin-6-amin [German]
Adenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
Adenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
adenosine 5′-triphosphate

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS154433 [DBID]
AIDS-154433 [DBID]
Bio1_000406 [DBID]
Bio1_000895 [DBID]
Bio1_001384 [DBID]
bmse000006 [DBID]
C00002 [DBID]
CHEBI:15422 [DBID]
NChemBio.2007.9-comp27 [DBID]
nchembio856-comp13 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Toxicity:

      Organic Compound; Amine; Ether; Drug; Food Toxin; Dietary Supplement; Micronutrient; Metabolite; Nutraceutical; Animal Toxin; Natural Compound; Supplement Toxin, Toxin-Target Database T3D4276
    • Chemical Class:

      An adenosine 5'-phosphate in which the 5'-phosphate is a triphosphate group. It is involved in the transportation of chemical energy during metabolic pathways. ChEBI CHEBI:15422

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.6±0.1 g/cm3
Boiling Point: 951.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.1±3.0 kJ/mol
Flash Point: 529.2±37.1 °C
Index of Refraction: 1.904
Molar Refractivity: 89.8±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.18
ACD/LogD (pH 5.5): -10.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 197.4±7.0 dyne/cm
Molar Volume: 192.4±7.0 cm3

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