ChemSpider 2D Image | [5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate | C8H13N3O9P2S

[5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate

  • Molecular FormulaC8H13N3O9P2S
  • Average mass389.216 Da
  • Monoisotopic mass388.984772 Da
  • ChemSpider ID59695381

More details:

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

[5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate [ACD/IUPAC Name]
[5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]methyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Diphosphoric acid, mono[[5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl] ester [ACD/Index Name]
Trihydrogénodiphosphate de [5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl]méthyle [French] [ACD/IUPAC Name]
Lamivudine-diphosphate

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

Density: 2.2±0.1 g/cm3
Boiling Point: 708.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 112.8±6.0 kJ/mol
Flash Point: 382.2±35.7 °C
Index of Refraction: 1.787
Molar Refractivity: 74.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.45
ACD/LogD (pH 5.5): -8.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 226 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 137.5±7.0 dyne/cm
Molar Volume: 175.3±7.0 cm3

Click to predict properties on the Chemicalize site


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