ChemSpider 2D Image | 2-[6-Amino-1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]-2-oxoethyl 3-(3,4,5-trimethoxyphenyl)acrylate | C28H29N3O10

2-[6-Amino-1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]-2-oxoethyl 3-(3,4,5-trimethoxyphenyl)acrylate

  • Molecular FormulaC28H29N3O10
  • Average mass567.544 Da
  • Monoisotopic mass567.185303 Da
  • ChemSpider ID30631394

More details:

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

1(2H)-Pyrimidineacetic acid, 4-amino-3,6-dihydro-2,6-dioxo-5-[2-[[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]oxy]acetyl]-3-(phenylmethyl)-, methyl ester [ACD/Index Name]
2-[6-Amino-1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]-2-oxoethyl 3-(3,4,5-trimethoxyphenyl)acrylate [ACD/IUPAC Name]
2-[6-Amino-1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]-2-oxoethyl-3-(3,4,5-trimethoxyphenyl)acrylat [German] [ACD/IUPAC Name]
3-(3,4,5-Triméthoxyphényl)acrylate de 2-[6-amino-1-benzyl-3-(2-méthoxy-2-oxoéthyl)-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl]-2-oxoéthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 714.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.7±35.7 °C
Index of Refraction: 1.602
Molar Refractivity: 145.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.77
ACD/KOC (pH 5.5): 239.19
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.78
ACD/KOC (pH 7.4): 239.25
Polar Surface Area: 164 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 422.9±3.0 cm3

Click to predict properties on the Chemicalize site


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