ChemSpider 2D Image | {1-[(2R,4S,5R)-4-[(Hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}phosphoryl)oxy]-5-(hydroxymethyl)tetrahydro-2-furanyl]-2-oxo-1,2-dihyd ro-4-pyrimidinyl}phosphoramidic acid | C19H27N5O14P2

{1-[(2R,4S,5R)-4-[(Hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}phosphoryl)oxy]-5-(hydroxymethyl)tetrahydro-2-furanyl]-2-oxo-1,2-dihyd ro-4-pyrimidinyl}phosphoramidic acid

  • Molecular FormulaC19H27N5O14P2
  • Average mass611.390 Da
  • Monoisotopic mass611.102966 Da
  • ChemSpider ID9225755

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

{1-[(2R,4S,5R)-4-[(Hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}phosphoryl)oxy]-5-(hydroxymethyl)tetrahydro-2-furanyl]-2-oxo-1,2-dihyd ro-4-pyrimidinyl}phosphoramidic acid [ACD/IUPAC Name]
{1-[(2R,4S,5R)-4-[(Hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}phosphoryl)oxy]-5-(hydroxymethyl)tetrahydro-2-furanyl]-2-oxo-1,2-dihyd ro-4-pyrimidinyl}phosphoramidsäure [German] [ACD/IUPAC Name]
Acide {1-[(2R,4S,5R)-4-[(hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]méthoxy}phosphoryl)oxy]-5-(hydroxyméthyl)tétrahydro-2-furanyl]-2-oxo-1,2 -dihydro-4-pyrimidinyl}phosphoramidique [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.776
Molar Refractivity: 124.6±0.5 cm3
#H bond acceptors: 19
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -6.17
ACD/LogD (pH 5.5): -11.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 286 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 110.4±7.0 dyne/cm
Molar Volume: 298.2±7.0 cm3

Click to predict properties on the Chemicalize site


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