ChemSpider 2D Image | 1-(2-Deoxy-5-O-phosphono-alpha-D-threo-pentofuranosyl)-4-imino-1,4-dihydro-2-pyrimidinol | C9H14N3O7P

1-(2-Deoxy-5-O-phosphono-α-D-threo-pentofuranosyl)-4-imino-1,4-dihydro-2-pyrimidinol

  • Molecular FormulaC9H14N3O7P
  • Average mass307.197 Da
  • Monoisotopic mass307.056946 Da
  • ChemSpider ID57643256

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-(2-Deoxy-5-O-phosphono-α-D-threo-pentofuranosyl)-4-imino-1,4-dihydro-2-pyrimidinol [ACD/IUPAC Name]
1-(2-Desoxy-5-O-phosphono-α-D-threo-pentofuranosyl)-4-imino-1,4-dihydro-2-pyrimidinol [German] [ACD/IUPAC Name]
1-(2-Désoxy-5-O-phosphono-α-D-thréo-pentofuranosyl)-4-imino-1,4-dihydro-2-pyrimidinol [French] [ACD/IUPAC Name]
2-Pyrimidinol, 1-(2-deoxy-5-O-phosphono-α-D-threo-pentofuranosyl)-1,4-dihydro-4-imino- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 618.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.2±6.0 kJ/mol
Flash Point: 328.1±34.3 °C
Index of Refraction: 1.743
Molar Refractivity: 61.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.64
ACD/LogD (pH 5.5): -6.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 108.1±7.0 dyne/cm
Molar Volume: 152.7±7.0 cm3

Click to predict properties on the Chemicalize site


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