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ChemSpider 2D Image | 5'-O-[{[(R)-Ethoxy(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) | C12H20N5O13P3

5'-O-[{[(R)-Ethoxy(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)

  • Molecular FormulaC12H20N5O13P3
  • Average mass535.234 Da
  • Monoisotopic mass535.027039 Da
  • ChemSpider ID26326068
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

5'-O-[{[(R)-Ethoxy(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosin3'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
5'-O-[{[(R)-Ethoxy(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) [ACD/IUPAC Name]
5'-O-[{[(R)-Éthoxy(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adénosine-3'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[(R)-ethoxyhydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen phosphate) [ACD/Index Name]
Acetyl coenzyme A
ACO
CoA
Coenzyme A [Wiki]
FAQ
Phenylacetyl coenzyme A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.3±0.1 g/cm3
Boiling Point: 903.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.6±3.0 kJ/mol
Flash Point: 500.4±37.1 °C
Index of Refraction: 1.798
Molar Refractivity: 99.4±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.20
ACD/LogD (pH 5.5): -9.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 298 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 142.4±7.0 dyne/cm
Molar Volume: 232.8±7.0 cm3

Click to predict properties on the Chemicalize site






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