ChemSpider 2D Image | 4-Imino-1-(3-O-phosphono-beta-D-arabinofuranosyl)-1,4-dihydro-2-pyrimidinamine | C9H15N4O7P

4-Imino-1-(3-O-phosphono-β-D-arabinofuranosyl)-1,4-dihydro-2-pyrimidinamine

  • Molecular FormulaC9H15N4O7P
  • Average mass322.212 Da
  • Monoisotopic mass322.067841 Da
  • ChemSpider ID34228174

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Pyrimidinamine, 1,4-dihydro-4-imino-1-(3-O-phosphono-β-D-arabinofuranosyl)- [ACD/Index Name]
4-Imino-1-(3-O-phosphono-β-D-arabinofuranosyl)-1,4-dihydro-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-Imino-1-(3-O-phosphono-β-D-arabinofuranosyl)-1,4-dihydro-2-pyrimidinamine [ACD/IUPAC Name]
4-Imino-1-(3-O-phosphono-β-D-arabinofuranosyl)-1,4-dihydro-2-pyrimidinamine [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: 657.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±6.0 kJ/mol
Flash Point: 351.7±34.3 °C
Index of Refraction: 1.796
Molar Refractivity: 63.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -3.89
ACD/LogD (pH 5.5): -6.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 124.7±7.0 dyne/cm
Molar Volume: 149.5±7.0 cm3

Click to predict properties on the Chemicalize site


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