ChemSpider 2D Image | 3-{(E)-[(3-{[(2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)methyl]amino}propoxy)imino]methyl}benzoic acid | C16H18N4O5

3-{(E)-[(3-{[(2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)methyl]amino}propoxy)imino]methyl}benzoic acid

  • Molecular FormulaC16H18N4O5
  • Average mass346.338 Da
  • Monoisotopic mass346.127716 Da
  • ChemSpider ID24604858

  • Double-bond stereo - Double-bond stereo

More details:

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

3-{(E)-[(3-{[(2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)methyl]amino}propoxy)imino]methyl}benzoesäure [German] [ACD/IUPAC Name]
3-{(E)-[(3-{[(2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)methyl]amino}propoxy)imino]methyl}benzoic acid [ACD/IUPAC Name]
3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid
Acide 3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinyl)méthyl]amino}propoxy)imino]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(E)-[[3-[[(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinyl)methyl]amino]propoxy]imino]methyl]- [ACD/Index Name]
3FI
6-[3-[(3-Carboxy-benzylidene)aminooxypropylamino]-methyl]uracil
6-[3-[(3-Carboxy-benzylidene)aminooxypropylamino]-methyl]uracil, 6

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 88.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 247.6±7.0 cm3

Click to predict properties on the Chemicalize site


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