ChemSpider 2D Image | 4-Amino-1-(3-O-phosphono-beta-L-lyxofuranosyl)-2(1H)-pyrimidinone | C9H14N3O8P

4-Amino-1-(3-O-phosphono-β-L-lyxofuranosyl)-2(1H)-pyrimidinone

  • Molecular FormulaC9H14N3O8P
  • Average mass323.197 Da
  • Monoisotopic mass323.051849 Da
  • ChemSpider ID25058955
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

[(2s,3s,4r,5s)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-4-Hydroxy-2-(Hydroxymethyl)oxolan-3-Yl] Dihydrogen Phosphate
2(1H)-Pyrimidinone, 4-amino-1-(3-O-phosphono-β-L-lyxofuranosyl)- [ACD/Index Name]
4-Amino-1-(3-O-phosphono-β-L-lyxofuranosyl)-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-(3-O-phosphono-β-L-lyxofuranosyl)-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-(3-O-phosphono-β-L-lyxofuranosyl)-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
C6B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.2±0.1 g/cm3
Boiling Point: 693.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.2±6.0 kJ/mol
Flash Point: 373.4±34.3 °C
Index of Refraction: 1.775
Molar Refractivity: 62.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.74
ACD/LogD (pH 5.5): -6.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 121.6±7.0 dyne/cm
Molar Volume: 150.0±7.0 cm3

Click to predict properties on the Chemicalize site






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