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 4-(3-methyl-1-piperidinyl)-3-nitrobenzoate | C29H31N5O9

2-[6-Amino-1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]-2-oxoethyl 4-(3-methyl-1-piperidinyl)-3-nitrobenzoate

  • Molecular FormulaC29H31N5O9
  • Average mass593.584 Da
  • Monoisotopic mass593.212158 Da
  • ChemSpider ID4037661

More details:

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

1(2H)-Pyrimidineacetic acid, 4-amino-3,6-dihydro-5-[2-[[4-(3-methyl-1-piperidinyl)-3-nitrobenzoyl]oxy]acetyl]-2,6-dioxo-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 4-(3-methyl-1-piperidinyl)-3-nitrobenzoate [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-4-(3-methyl-1-piperidinyl)-3-nitrobenzoat [German] [ACD/IUPAC Name]
4-(3-Méthyl-1-pipéridinyl)-3-nitrobenzoate 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: 1.4±0.1 g/cm3
Boiling Point: 774.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 422.4±35.7 °C
Index of Refraction: 1.614
Molar Refractivity: 150.5±0.3 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 216.19
ACD/KOC (pH 5.5): 1632.51
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 216.24
ACD/KOC (pH 7.4): 1632.85
Polar Surface Area: 185 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 431.9±3.0 cm3

Click to predict properties on the Chemicalize site


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