ChemSpider 2D Image | (2r,3s,4r,5r)-5-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)-4-Hydroxy-2-({[(S)-Hydroxy{[(2r,3s,4s)-4-Hydroxy-2-(Hydroxymethyl)tetrahydrofuran-3-Yl]oxy}phosphoryl]oxy}methyl)tetrahydrofuran-3-Yl Dihydrogen Phosphate | C14H22N2O15P2

(2r,3s,4r,5r)-5-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)-4-Hydroxy-2-({[(S)-Hydroxy{[(2r,3s,4s)-4-Hydroxy-2-(Hydroxymethyl)tetrahydrofuran-3-Yl]oxy}phosphoryl]oxy}methyl)tetrahydrofuran-3-Yl Dihydrogen Phosphate

  • Molecular FormulaC14H22N2O15P2
  • Average mass520.276 Da
  • Monoisotopic mass520.049561 Da
  • ChemSpider ID35034228

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-2-({[(S)-hydroxy{[(2R,3S,4S)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]oxy}phosphoryl]oxy}methyl)tetrahydro-3-furanyl dihydrog en phosphate (non-preferred name) [ACD/IUPAC Name]
(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-2-({[(S)-hydroxy{[(2R,3S,4S)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]oxy}phosphoryl]oxy}methyl)tetrahydro-3-furanyldihydroge nphosphat (non-preferred name) [German] [ACD/IUPAC Name]
(2r,3s,4r,5r)-5-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)-4-Hydroxy-2-({[(S)-Hydroxy{[(2r,3s,4s)-4-Hydroxy-2-(Hydroxymethyl)tetrahydrofuran-3-Yl]oxy}phosphoryl]oxy}methyl)tetrahydrofuran-3-Yl Dihydrogen Phosphate
Dihydrogénophosphate de (2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-2-({[(S)-hydroxy{[(2R,3S,4S)-4-hydroxy-2-(hydroxyméthyl)tétrahydro-3-furanyl]oxy}phosphoryl]oxy}méthyl)tétra hydro-3-furanyle (non-preferred name) [French] [ACD/IUPAC Name]
PUP

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.646
Molar Refractivity: 99.7±0.4 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -5.10
ACD/LogD (pH 5.5): -10.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 271 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 109.2±5.0 dyne/cm
Molar Volume: 274.4±5.0 cm3

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