ChemSpider 2D Image | 4-Nitrophenyl 4-[(6-amino-2,4-dioxo-3-propyl-1,2,3,4-tetrahydro-5-pyrimidinyl)carbamoyl]benzenesulfonate | C20H19N5O8S

4-Nitrophenyl 4-[(6-amino-2,4-dioxo-3-propyl-1,2,3,4-tetrahydro-5-pyrimidinyl)carbamoyl]benzenesulfonate

  • Molecular FormulaC20H19N5O8S
  • Average mass489.459 Da
  • Monoisotopic mass489.095428 Da
  • ChemSpider ID23980171

More details:

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

4-[(6-Amino-2,4-dioxo-3-propyl-1,2,3,4-tétrahydro-5-pyrimidinyl)carbamoyl]benzènesulfonate de 4-nitrophényle [French] [ACD/IUPAC Name]
4-Nitrophenyl 4-[(6-amino-2,4-dioxo-3-propyl-1,2,3,4-tetrahydro-5-pyrimidinyl)carbamoyl]benzenesulfonate [ACD/IUPAC Name]
4-Nitrophenyl-4-[(6-amino-2,4-dioxo-3-propyl-1,2,3,4-tetrahydro-5-pyrimidinyl)carbamoyl]benzolsulfonat [German] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-[[(4-amino-1,2,3,6-tetrahydro-2,6-dioxo-1-propyl-5-pyrimidinyl)amino]carbonyl]-, 4-nitrophenyl ester [ACD/Index Name]
666715-99-7 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.693
Molar Refractivity: 117.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 2.25
ACD/KOC (pH 5.5): 62.21
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 2.18
ACD/KOC (pH 7.4): 60.22
Polar Surface Area: 202 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 85.3±5.0 dyne/cm
Molar Volume: 306.7±5.0 cm3

Click to predict properties on the Chemicalize site


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