Found 204 results

Search term: MF = 'C_{28}H_{31}N_{3}O_{8}'
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-methylbutoxy)benzoate | C28H31N3O8

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

  • Molecular FormulaC28H31N3O8
  • Average mass537.561 Da
  • Monoisotopic mass537.211121 Da
  • ChemSpider ID10891193

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-methylbutoxy)benzoyl]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-methylbutoxy)benzoate [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-methylbutoxy)benzoat [German] [ACD/IUPAC Name]
4-(3-Méthylbutoxy)benzoate 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: 688.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.4±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 139.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 183.22
ACD/KOC (pH 5.5): 1450.18
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 183.27
ACD/KOC (pH 7.4): 1450.51
Polar Surface Area: 146 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 418.2±3.0 cm3

Click to predict properties on the Chemicalize site


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