ChemSpider 2D Image | 9-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-9H-purin-6-amine | C11H14N5O7P

9-{2,5-anhydro-4-[(phosphonooxy)methyl]-α-L-lyxofuranosyl}-9H-purin-6-amine

  • Molecular FormulaC11H14N5O7P
  • Average mass359.232 Da
  • Monoisotopic mass359.063080 Da
  • ChemSpider ID25059110

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9-{2,5-Anhydro-4-[(phosphonooxy)methyl]-α-L-lyxofuranosyl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-{2,5-anhydro-4-[(phosphonooxy)methyl]-α-L-lyxofuranosyl}-9H-purin-6-amine [ACD/IUPAC Name]
9-{2,5-Anhydro-4-[(phosphonooxy)méthyl]-α-L-lyxofuranosyl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[2,5-anhydro-4-C-[(phosphonooxy)methyl]-α-L-lyxofuranosyl]- [ACD/Index Name]
[(1R,3R,4R,7S)-7-HYDROXY-3-(ADENIN-9-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE
  • Miscellaneous

    • Chemical Class:

      A nucleoside monophosphate analogue derived from the formal condensation of the <element>N</element><smallsup>1</smallsup>-nitrogen of adenine with 2,5-anhydro-4-[(phosphonooxy)methyl]-<stereo>alpha</ stereo>-<stereo>L</stereo>-lyxofuranose. ChEBI CHEBI:43791
      A nucleoside monophosphate analogue derived from the formal condensation of the N(1)-nitrogen of adenine with 2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranose. ChEBI CHEBI:43791

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

Density: 2.4±0.1 g/cm3
Boiling Point: 782.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.5±3.0 kJ/mol
Flash Point: 427.2±35.7 °C
Index of Refraction: 1.945
Molar Refractivity: 73.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.12
ACD/LogD (pH 5.5): -4.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 146.2±7.0 dyne/cm
Molar Volume: 151.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement