ChemSpider 2D Image | 8-Azido-5'-O-[(phosphonooxy)phosphinato]-2',3'-O-(2,4,6-trinitro-2,4-cyclohexadiene-1,1-diyl)adenosine | C16H14N11O16P2

8-Azido-5'-O-[(phosphonooxy)phosphinato]-2',3'-O-(2,4,6-trinitro-2,4-cyclohexadiene-1,1-diyl)adenosine

  • Molecular FormulaC16H14N11O16P2
  • Average mass678.294 Da
  • Monoisotopic mass678.010071 Da
  • ChemSpider ID131639

  • Charge - Charge

    defined stereocentres - 4 of 6 defined stereocentres

More details:

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

8-Azido-5'-O-[(phosphonooxy)phosphinato]-2',3'-O-(2,4,6-trinitro-2,4-cyclohexadien-1,1-diyl)adenosin [German] [ACD/IUPAC Name]
8-Azido-5'-O-[(phosphonooxy)phosphinato]-2',3'-O-(2,4,6-trinitro-2,4-cyclohexadiene-1,1-diyl)adenosine [ACD/IUPAC Name]
8-Azido-5'-O-[(phosphonooxy)phosphinato]-2',3'-O-(2,4,6-trinitro-2,4-cyclohexadiène-1,1-diyl)adénosine [French] [ACD/IUPAC Name]
Adenosine, 8-azido-2',3'-O-(2,4,6-trinitro-2,4-cyclohexadien-1-ylidene)-, 5'-(trihydrogen diphosphate), ion(1-) [ACD/Index Name]
120218-68-0 [RN]
2'(3')-O-(2,4,6-Trinitrophenyl)-8-azidoadenosine 5'-diphosphate
2',3'-O (2,4,6-Trinitrophenyl)-8-azidoadenosine diphosphate
2,3-Tpadp
Adenosine 5'-(trihydrogen diphosphate), 8-azido-2',3'-O-(2,4,6-trinitro-2,4-cyclohexadien-1-ylidene)-, ion(1-)

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: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -1.93
ACD/LogD (pH 5.5): -8.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 383 Å2
Polarizability:
Surface Tension:
Molar Volume:

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