ChemSpider 2D Image | 5-Methyl-1-(5-O-phosphono-alpha-L-lyxofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine | C13H17N6O7P

5-Methyl-1-(5-O-phosphono-α-L-lyxofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine

  • Molecular FormulaC13H17N6O7P
  • Average mass400.284 Da
  • Monoisotopic mass400.089630 Da
  • ChemSpider ID82962960

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,4,5,6,8-Pentaazaacenaphthylen-3-amine, 1,5-dihydro-5-methyl-1-(5-O-phosphono-α-L-lyxofuranosyl)- [ACD/Index Name]
5-Methyl-1-(5-O-phosphono-α-L-lyxofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amin [German] [ACD/IUPAC Name]
5-Methyl-1-(5-O-phosphono-α-L-lyxofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine [ACD/IUPAC Name]
5-Méthyl-1-(5-O-phosphono-α-L-lyxofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacénaphtylén-3-amine [French] [ACD/IUPAC Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 832.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.8±3.0 kJ/mol
Flash Point: 457.4±37.1 °C
Index of Refraction: 1.925
Molar Refractivity: 85.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.83
ACD/LogD (pH 5.5): -5.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 128.3±7.0 dyne/cm
Molar Volume: 179.2±7.0 cm3

Click to predict properties on the Chemicalize site


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