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ChemSpider 2D Image | N-(1,2-Dicarboxylatoethyl)-5'-O-phosphonatoadenosine | C14H14N5O11P

N-(1,2-Dicarboxylatoethyl)-5'-O-phosphonatoadenosine

  • Molecular FormulaC14H14N5O11P
  • Average mass459.264 Da
  • Monoisotopic mass459.044922 Da
  • ChemSpider ID26333181
  • Charge - Charge

    defined stereocentres - 4 of 5 defined stereocentres


More details:






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

Adenosine, N-(1,2-dicarboxyethyl)-, 5'-(dihydrogen phosphate), ion(4-) [ACD/Index Name]
N-(1,2-Dicarboxylatoethyl)-5'-O-phosphonatoadenosin [German] [ACD/IUPAC Name]
N-(1,2-Dicarboxylatoethyl)-5'-O-phosphonatoadenosine [ACD/IUPAC Name]
N-(1,2-Dicarboxylatoéthyl)-5'-O-phosphonatoadénosine [French] [ACD/IUPAC Name]
N6-(1,2-dicarboxyethyl)-AMP
adenylo-succ
adenylo-succinate
N(6)-(1,2-dicarboxyethyl)-AMP
N(6)-(1,2-dicarboxylatoethyl)-AMP tetraanion
N(6)-(1,2-dicarboxylatoethyl)-AMP(4-)
  • Miscellaneous
    • Chemical Class:

      Tetraanion of N(6)-(1,2-dicarboxyethyl)-AMP arising from deprotonation of carboxylic acid and phosphate functions. ChEBI CHEBI:57567

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

Density:
Boiling Point: 921.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.4±3.0 kJ/mol
Flash Point: 511.3±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.62
ACD/LogD (pH 5.5): -7.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 268 Å2
Polarizability:
Surface Tension:
Molar Volume:

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