ChemSpider 2D Image | Benzyl (5R)-5-(1,3-benzodioxol-5-yl)-1,3,7-trimethyl-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate | C25H23N3O6

Benzyl (5R)-5-(1,3-benzodioxol-5-yl)-1,3,7-trimethyl-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate

  • Molecular FormulaC25H23N3O6
  • Average mass461.467 Da
  • Monoisotopic mass461.158691 Da
  • ChemSpider ID62679225

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-5-(1,3-Benzodioxol-5-yl)-1,3,7-triméthyl-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl (5R)-5-(1,3-benzodioxol-5-yl)-1,3,7-trimethyl-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Benzyl-(5R)-5-(1,3-benzodioxol-5-yl)-1,3,7-trimethyl-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
Pyrido[2,3-d]pyrimidine-6-carboxylic acid, 5-(1,3-benzodioxol-5-yl)-1,2,3,4,5,8-hexahydro-1,3,7-trimethyl-2,4-dioxo-, phenylmethyl ester, (5R)- [ACD/Index 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: 612.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.1±34.3 °C
Index of Refraction: 1.682
Molar Refractivity: 121.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 135.00
ACD/KOC (pH 5.5): 1165.48
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 135.00
ACD/KOC (pH 7.4): 1165.49
Polar Surface Area: 97 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 320.3±5.0 cm3

Click to predict properties on the Chemicalize site


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