ChemSpider 2D Image | N-(Ethylcarbamoyl)-2',3'-O-[(1S,2E)-3-phenyl-2-propen-1-ylidene]-5'-O-phosphonatoadenosine | C22H23N6O8P

N-(Ethylcarbamoyl)-2',3'-O-[(1S,2E)-3-phenyl-2-propen-1-ylidene]-5'-O-phosphonatoadenosine

  • Molecular FormulaC22H23N6O8P
  • Average mass530.428 Da
  • Monoisotopic mass530.132568 Da
  • ChemSpider ID34894213

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Adenosine, N-[(ethylamino)carbonyl]-2',3'-O-[(1S,2E)-3-phenyl-2-propen-1-ylidene]-, 5'-(dihydrogen phosphate), ion(2-) [ACD/Index Name]
N-(Ethylcarbamoyl)-2',3'-O-[(1S,2E)-3-phenyl-2-propen-1-yliden]-5'-O-phosphonatoadenosin [German] [ACD/IUPAC Name]
N-(Ethylcarbamoyl)-2',3'-O-[(1S,2E)-3-phenyl-2-propen-1-ylidene]-5'-O-phosphonatoadenosine [ACD/IUPAC Name]
N-(Éthylcarbamoyl)-2',3'-O-[(1S,2E)-3-phényl-2-propén-1-ylidène]-5'-O-phosphonatoadénosine [French] [ACD/IUPAC Name]

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: 14
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.87
ACD/LogD (pH 5.5): -2.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 195 Å2
Polarizability:
Surface Tension:
Molar Volume:

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