ChemSpider 2D Image | 4-{3-[(2-amino-6-hydroxy-5-nitrosopyrimidin-4-yl)amino]propoxy}benzoic acid | C14H15N5O5

4-{3-[(2-amino-6-hydroxy-5-nitrosopyrimidin-4-yl)amino]propoxy}benzoic acid

  • Molecular FormulaC14H15N5O5
  • Average mass333.299 Da
  • Monoisotopic mass333.107330 Da
  • ChemSpider ID23230538

More details:






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

4-{3-[(2-Amino-5-nitroso-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]propoxy}benzoesäure [German] [ACD/IUPAC Name]
4-{3-[(2-Amino-5-nitroso-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]propoxy}benzoic acid [ACD/IUPAC Name]
4-{3-[(2-Amino-5-Nitroso-6-Oxo-1,6-Dihydropyrimidin-4-Yl)amino]propoxy}benzoic Acid
4-{3-[(2-amino-6-hydroxy-5-nitrosopyrimidin-4-yl)amino]propoxy}benzoic acid
Acide 4-{3-[(2-amino-5-nitroso-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]propoxy}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[3-[(2-amino-6-hydroxy-5-nitroso-4-pyrimidinyl)amino]propoxy]- [ACD/Index Name]
4-[3-(2-Amino-5-nitroso-6-oxo-1,6-dihydro-pyrimidin-4-ylamino)-propoxy]-benzoic acid
B54

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

Density: 1.6±0.1 g/cm3
Boiling Point: 745.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 404.4±35.7 °C
Index of Refraction: 1.688
Molar Refractivity: 80.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.23
ACD/LogD (pH 5.5): -1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 69.8±7.0 dyne/cm
Molar Volume: 212.2±7.0 cm3

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