ChemSpider 2D Image | (4R,5R,6R)-Tetrahydro-1,3-bis[(4-carbomethoxyphenyl)methyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone | C37H38N2O6

(4R,5R,6R)-Tetrahydro-1,3-bis[(4-carbomethoxyphenyl)methyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone

  • Molecular FormulaC37H38N2O6
  • Average mass606.707 Da
  • Monoisotopic mass606.273010 Da
  • ChemSpider ID417727

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R,5R,6R)-Tetrahydro-1,3-bis[(4-carbomethoxyphenyl)methyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone
4,4'-{[(4R,5R,6R)-4-Benzyl-5-hydroxy-2-oxo-6-(2-phényléthyl)dihydropyrimidine-1,3(2H,4H)-diyl]diméthylène}dibenzoate de diméthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4,4'-[[(4R,5R,6R)-dihydro-5-hydroxy-2-oxo-4-(2-phenylethyl)-6-(phenylmethyl)-1,3(2H,4H)-pyrimidinediyl]bis(methylene)]bis-, dimethyl ester [ACD/Index Name]
Dimethyl 4,4'-{[(4R,5R,6R)-4-benzyl-5-hydroxy-2-oxo-6-(2-phenylethyl)dihydropyrimidine-1,3(2H,4H)-diyl]bis(methylene)}dibenzoate [ACD/IUPAC Name]
Dimethyl-4,4'-{[(4R,5R,6R)-4-benzyl-5-hydroxy-2-oxo-6-(2-phenylethyl)dihydropyrimidin-1,3(2H,4H)-diyl]dimethylen}dibenzoat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL296549/
methyl 4-[4-benzyl-5-hydroxy-3-(4-methyloxycarbonylbenzyl)-2-oxo-6-phenethyl-(4R,5R,6R)-hexahydro-1-pyrimidinylmethyl]benzoate

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

AIDS086422 [DBID]
AIDS-086422 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 769.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.5±3.0 kJ/mol
Flash Point: 418.9±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 172.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.99
ACD/LogD (pH 5.5): 6.72
ACD/BCF (pH 5.5): 74992.96
ACD/KOC (pH 5.5): 107428.58
ACD/LogD (pH 7.4): 6.72
ACD/BCF (pH 7.4): 74992.96
ACD/KOC (pH 7.4): 107428.58
Polar Surface Area: 96 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 491.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement