ChemSpider 2D Image | Adenosine, 5'-O-[[[[(3S)-4-[[3-[[2-[(2-carboxyacetyl)thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen phosphate), ion(4 -) | C24H34N7O19P3S

Adenosine, 5'-O-[[[[(3S)-4-[[3-[[2-[(2-carboxyacetyl)thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen phosphate), ion(4 -)

  • Molecular FormulaC24H34N7O19P3S
  • Average mass849.551 Da
  • Monoisotopic mass849.086487 Da
  • ChemSpider ID13115326

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Adenosine, 5'-O-[[[[(3S)-4-[[3-[[2-[(2-carboxyacetyl)thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen phosphate), ion(4 -) [ACD/Index Name]
malonyl-CoA
Malonyl-coenzyme A

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

nchembio.2007.22-comp3 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 26
#H bond donors: 11
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -4.26
ACD/LogD (pH 5.5): -11.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 467 Å2
Polarizability:
Surface Tension:
Molar Volume:

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