ChemSpider 2D Image | 8-Azido-5'-O-(hydroxyphosphinato)-2',3'-O-(2,4,5-trinitro-2,4-cyclohexadiene-1,1-diyl)adenosine | C16H14N11O13P

8-Azido-5'-O-(hydroxyphosphinato)-2',3'-O-(2,4,5-trinitro-2,4-cyclohexadiene-1,1-diyl)adenosine

  • Molecular FormulaC16H14N11O13P
  • Average mass598.315 Da
  • Monoisotopic mass598.043762 Da
  • ChemSpider ID2340571
  • Charge - Charge

    defined stereocentres - 4 of 5 defined stereocentres


More details:






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

8-Azido-5'-O-(hydroxyphosphinato)-2',3'-O-(2,4,5-trinitro-2,4-cyclohexadien-1,1-diyl)adenosin [German] [ACD/IUPAC Name]
8-Azido-5'-O-(hydroxyphosphinato)-2',3'-O-(2,4,5-trinitro-2,4-cyclohexadiene-1,1-diyl)adenosine [ACD/IUPAC Name]
8-Azido-5'-O-(hydroxyphosphinato)-2',3'-O-(2,4,5-trinitro-2,4-cyclohexadiène-1,1-diyl)adénosine [French] [ACD/IUPAC Name]
Adenosine, 8-azido-2',3'-O-(2,4,5-trinitro-2,4-cyclohexadien-1-ylidene)-, 5'-(dihydrogen phosphate), ion(1-) [ACD/Index Name]
141096-03-9 [RN]
2',3'-O-(2,4,6-Trinitrophenyl)-8-azido-amp
5'-Adenylic acid, 8-azido-2',3'-O-(2,4,6-trinitro-2,4-cyclohexadien-1-ylidene)-, ion(1-)
8-Azido-2',3'-O-(2,4,6-trinitro-2,4-cyclohexadien-1-ylidene)-5'-adenylic acid ion(1-)
Tnp-8-azido-amp

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 24
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.52
ACD/LogD (pH 5.5): -4.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 327 Å2
Polarizability:
Surface Tension:
Molar Volume:

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