ChemSpider 2D Image | Tert-Butyl (2s)-3-[4-Amino-7-(3-Hydroxypropyl)-5-(4-Methylphenyl)-7h-Pyrrolo[2,3-D]pyrimidin-6-Yl]-2-Cyanopropanoate | C24H29N5O3

Tert-Butyl (2s)-3-[4-Amino-7-(3-Hydroxypropyl)-5-(4-Methylphenyl)-7h-Pyrrolo[2,3-D]pyrimidin-6-Yl]-2-Cyanopropanoate

  • Molecular FormulaC24H29N5O3
  • Average mass435.519 Da
  • Monoisotopic mass435.227051 Da
  • ChemSpider ID35033361

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-[4-Amino-7-(3-hydroxypropyl)-5-(4-méthylphényl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanpropanoat [German] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine-6-propanoic acid, 4-amino-α-cyano-7-(3-hydroxypropyl)-5-(4-methylphenyl)-, 1,1-dimethylethyl ester, (αS)- [ACD/Index Name]
Tert-Butyl (2s)-3-[4-Amino-7-(3-Hydroxypropyl)-5-(4-Methylphenyl)-7h-Pyrrolo[2,3-D]pyrimidin-6-Yl]-2-Cyanopropanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 706.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 381.3±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 122.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 127 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 349.8±7.0 cm3

Click to predict properties on the Chemicalize site


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