ChemSpider 2D Image | (2R,3S,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl dihydrogen phosphate | C9H13N2O8P

(2R,3S,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl dihydrogen phosphate

  • Molecular FormulaC9H13N2O8P
  • Average mass308.182 Da
  • Monoisotopic mass308.040955 Da
  • ChemSpider ID23310627

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3S,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl dihydrogen phosphate [ACD/IUPAC Name]
(2R,3S,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyldihydrogenphosphat [German] [ACD/IUPAC Name]
(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl dihydrogen phosphate
2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-[(2R,4S,5R)-tetrahydro-4-hydroxy-5-(phosphonooxy)-2-furanyl]- [ACD/Index Name]
Dihydrogénophosphate de (2R,3S,5R)-3-hydroxy-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyle [French] [ACD/IUPAC Name]
(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-tetrahydrofuran-2-yl dihydrogen phosphate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL399050/

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 61.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.00
ACD/LogD (pH 5.5): -6.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 90.3±5.0 dyne/cm
Molar Volume: 174.2±5.0 cm3

Click to predict properties on the Chemicalize site


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