ChemSpider 2D Image | (4-{4-[(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)methyl]-1H-1,2,3-triazol-1-yl}butyl)phosphonic acid | C11H16N5O5P

(4-{4-[(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)methyl]-1H-1,2,3-triazol-1-yl}butyl)phosphonic acid

  • Molecular FormulaC11H16N5O5P
  • Average mass329.249 Da
  • Monoisotopic mass329.088898 Da
  • ChemSpider ID31143913

More details:

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

(4-{4-[(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)methyl]-1H-1,2,3-triazol-1-yl}butyl)phosphonic acid [ACD/IUPAC Name]
(4-{4-[(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)methyl]-1H-1,2,3-triazol-1-yl}butyl)phosphonsäure [German] [ACD/IUPAC Name]
Acide (4-{4-[(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)méthyl]-1H-1,2,3-triazol-1-yl}butyl)phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [4-[4-[(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-1H-1,2,3-triazol-1-yl]butyl]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.710
Molar Refractivity: 76.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -3.38
ACD/LogD (pH 5.5): -5.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 87.7±7.0 dyne/cm
Molar Volume: 195.3±7.0 cm3

Click to predict properties on the Chemicalize site


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