ChemSpider 2D Image | North-Methanocarba-2'-Deoxyadenosine Triphosphate | C12H18N5O11P3

North-Methanocarba-2'-Deoxyadenosine Triphosphate

  • Molecular FormulaC12H18N5O11P3
  • Average mass501.220 Da
  • Monoisotopic mass501.021576 Da
  • ChemSpider ID2282244

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

North-Methanocarba-2'-Deoxyadenosine Triphosphate
Triphosphoric acid, mono[[(1R,2S,4S,5S)-4-(6-amino-9H-purin-9-yl)-2-hydroxybicyclo[3.1.0]hex-1-yl]methyl] ester [ACD/Index Name]
0OH
N-MCdATP
North-Methanocarbaadenine triphosphate

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

AIDS224580 [DBID]
AIDS-224580 [DBID]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 870.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.5±3.0 kJ/mol
Flash Point: 480.2±37.1 °C
Index of Refraction: 1.940
Molar Refractivity: 94.8±0.5 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.06
ACD/LogD (pH 5.5): -9.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 279 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 189.8±7.0 dyne/cm
Molar Volume: 197.7±7.0 cm3

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