ChemSpider 2D Image | Ethyl Coenzyme A | C20H34N7O16P3

Ethyl Coenzyme A

  • Molecular FormulaC20H34N7O16P3
  • Average mass721.443 Da
  • Monoisotopic mass721.127502 Da
  • ChemSpider ID392150

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-{[3-(methylamino)-3-oxopropyl]amino}-4-oxobutyl dihydrogen diphosphate (non -preferred name) [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]methyl-(3R)-3-hydroxy-2,2-dimethyl-4-{[3-(methylamino)-3-oxopropyl]amino}-4-oxobutyldihydrogendiphosphat (non-pr eferred name) [German] [ACD/IUPAC Name]
Adenosine, 5'-O-[(R)-hydroxy[[(R)-hydroxy[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-(methylamino)-3-oxopropyl]amino]-4-oxobutoxy]phosphinyl]oxy]phosphinyl]-, 3'-(dihydrogen phosphate) [ACD/Index Name]
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tétrahydro-2-furanyl]méthyle et de (3R)-3-hydroxy-2,2-diméthyl-4-{[3-(méthylamino)-3-oxopropyl]amino}-4-oxo butyle [French] [ACD/IUPAC Name]
Ethyl Coenzyme A
[[(2r,3s,4r,5r)-5-(6-Aminopurin-9-Yl)-4-Oxidanyl-3-Phosphonooxy-Oxolan-2-Yl]methoxy-Oxidanyl-Phosphoryl][(3r)-2,2-Dimethyl-3-Oxidanyl-4-Oxidanylidene-4-[[3-Oxidanylidene-3-(Propylamino)propyl]amino]butyl]hydrogen Phosphate
0T1
CoA
Coenzyme A [Wiki]
ETB

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.724
Molar Refractivity: 145.1±0.5 cm3
#H bond acceptors: 23
#H bond donors: 10
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -4.71
ACD/LogD (pH 5.5): -10.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 376 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 104.7±7.0 dyne/cm
Molar Volume: 365.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement