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Search term: CNSVITKBNLMDOG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-(2-Deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-ethoxy-5-methyl-2(1H)-pyrimidinone | C12H19N2O8P

1-(2-Deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-4-ethoxy-5-methyl-2(1H)-pyrimidinone

  • Molecular FormulaC12H19N2O8P
  • Average mass350.262 Da
  • Monoisotopic mass350.087891 Da
  • ChemSpider ID59052810

  • 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-β-D-erythro-pentofuranosyl)-4-ethoxy-5-methyl-2(1H)-pyrimidinone [ACD/IUPAC Name]
1-(2-Desoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-4-ethoxy-5-methyl-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
1-(2-Désoxy-5-O-phosphono-β-D-érythro-pentofuranosyl)-4-éthoxy-5-méthyl-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2(1H)-Pyrimidinone, 1-(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-4-ethoxy-5-methyl- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 578.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.3±6.0 kJ/mol
Flash Point: 303.4±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 74.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.70
ACD/LogD (pH 5.5): -5.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 70.4±7.0 dyne/cm
Molar Volume: 208.9±7.0 cm3

Click to predict properties on the Chemicalize site


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