ChemSpider 2D Image | 2',3'-O-{4-[Hydroxy(oxido)-lambda~5~-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate) | C16H17N8O19P3

2',3'-O-{4-[Hydroxy(oxido)-λ5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC16H17N8O19P3
  • Average mass718.270 Da
  • Monoisotopic mass717.982300 Da
  • ChemSpider ID559362

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2',3'-O-{4-[Hydroxy(oxido)-λ5-azanyliden]-2,6-dinitro-2,5-cyclohexadien-1,1-diyl}adenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
2',3'-O-{4-[Hydroxy(oxido)-λ5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
2',3'-O-{4-[Hydroxy(oxydo)-λ5-azanylidène]-2,6-dinitro-2,5-cyclohexadiène-1,1-diyl}adénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
Adenosine, 2',3'-O-(2,6-dinitro-4-aci-nitro-2,5-cyclohexadien-1-ylidene)-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
2',3'-O-{4-[Hydroxy(oxido)-??5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate)

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

Density: 2.7±0.1 g/cm3
Boiling Point: 1131.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 174.6±3.0 kJ/mol
Flash Point: 637.9±37.1 °C
Index of Refraction: 1.951
Molar Refractivity: 131.0±0.5 cm3
#H bond acceptors: 27
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.22
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 427 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 202.2±7.0 dyne/cm
Molar Volume: 270.9±7.0 cm3

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