ChemSpider 2D Image | 8-Azido-5'-O-({[hydroxy(phosphonooxy)phosphoryl]oxy}phosphinato)-2',3'-O-(2,3,5-trinitro-2,4-cyclohexadiene-1,1-diyl)adenosine | C16H16N11O19P3

8-Azido-5'-O-({[hydroxy(phosphonooxy)phosphoryl]oxy}phosphinato)-2',3'-O-(2,3,5-trinitro-2,4-cyclohexadiene-1,1-diyl)adenosine

  • Molecular FormulaC16H16N11O19P3
  • Average mass758.274 Da
  • Monoisotopic mass757.976379 Da
  • ChemSpider ID2300535

  • 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-({[hydroxy(phosphonooxy)phosphoryl]oxy}phosphinato)-2',3'-O-(2,3,5-trinitro-2,4-cyclohexadien-1,1-diyl)adenosin [German] [ACD/IUPAC Name]
8-Azido-5'-O-({[hydroxy(phosphonooxy)phosphoryl]oxy}phosphinato)-2',3'-O-(2,3,5-trinitro-2,4-cyclohexadiene-1,1-diyl)adenosine [ACD/IUPAC Name]
8-Azido-5'-O-({[hydroxy(phosphonooxy)phosphoryl]oxy}phosphinato)-2',3'-O-(2,3,5-trinitro-2,4-cyclohexadiène-1,1-diyl)adénosine [French] [ACD/IUPAC Name]
Adenosinato, 8-azido-2',3'-O-(2,3,5-trinitro-2,4-cyclohexadien-1-ylidene)-, 5'-(tetrahydrogen triphosphate), ion(1-) [ACD/Index Name]
120218-67-9 [RN]
2',3'-O-(2,4,6-Trinitrophenyl) 8-azido-ATP
2,3-Tpaatp
Adenosine 5'-(tetrahydrogen triphosphate), 8-azido-2',3'-O-(2,4,6-trinitro-2,4-cyclohexadien-1-ylidene)-, ion(1-)
O(2',3')-(2,4,6-Trinitrophenyl)-8-azidoadenosine triphosphate
Tnp-8-azido-ATP

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: 30
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -4.28
ACD/LogD (pH 5.5): -10.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 439 Å2
Polarizability:
Surface Tension:
Molar Volume:

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