ChemSpider 2D Image | 9-{2,3-O-[6-(Dioxido-lambda~5~-azanylidene)-2,4-dinitrocyclohexa-2,4-diene-1,1-diyl]-5-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)pentofuranosyl}-9H-purin-6-amine | C16H12N8O19P3

9-{2,3-O-[6-(Dioxido-λ5-azanylidene)-2,4-dinitrocyclohexa-2,4-diene-1,1-diyl]-5-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)pentofuranosyl}-9H-purin-6-amine

  • Molecular FormulaC16H12N8O19P3
  • Average mass713.233 Da
  • Monoisotopic mass712.945923 Da
  • ChemSpider ID16044767

  • Charge - Charge

More details:

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

9-{2,3-O-[6-(Dioxido-λ5-azanylidene)-2,4-dinitrocyclohexa-2,4-diene-1,1-diyl]-5-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)pentofuranosyl}-9H-purin-6-amine
9H-purin-6-aminato(5-), 9-[2,3-O-(2,4-dinitro-6-aci-nitro-2,4-cyclohexadien-1-ylidene)-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]pentofuranosyl]-, ion(5-)

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: 27
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.03
ACD/LogD (pH 5.5): -6.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 441 Å2
Polarizability:
Surface Tension:
Molar Volume:

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