ChemSpider 2D Image | (2S)-2-[6-(5-Chloro-2-{[(3R,4R)-3,4-dihydroxycyclopentyl]amino}-4-pyrimidinyl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)ethyl]propanamide | C29H31ClFN5O5

(2S)-2-[6-(5-Chloro-2-{[(3R,4R)-3,4-dihydroxycyclopentyl]amino}-4-pyrimidinyl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)ethyl]propanamide

  • Molecular FormulaC29H31ClFN5O5
  • Average mass584.038 Da
  • Monoisotopic mass583.199768 Da
  • ChemSpider ID129098389

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-2-[6-(5-Chlor-2-{[(3R,4R)-3,4-dihydroxycyclopentyl]amino}-4-pyrimidinyl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]-N-[(1S)-1-(3-fluor-5-methoxyphenyl)ethyl]propanamid [German] [ACD/IUPAC Name]
(2S)-2-[6-(5-Chloro-2-{[(3R,4R)-3,4-dihydroxycyclopentyl]amino}-4-pyrimidinyl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)ethyl]propanamide [ACD/IUPAC Name]
(2S)-2-[6-(5-Chloro-2-{[(3R,4R)-3,4-dihydroxycyclopentyl]amino}-4-pyrimidinyl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]-N-[(1S)-1-(3-fluoro-5-méthoxyphényl)éthyl]propanamide [French] [ACD/IUPAC Name]
2H-Isoindole-2-acetamide, 6-[5-chloro-2-[[(3R,4R)-3,4-dihydroxycyclopentyl]amino]-4-pyrimidinyl]-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)ethyl]-1,3-dihydro-α-methyl-1-oxo-, (αS)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.657
Molar Refractivity: 150.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.57
ACD/KOC (pH 5.5): 281.75
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.58
ACD/KOC (pH 7.4): 281.79
Polar Surface Area: 137 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 69.3±3.0 dyne/cm
Molar Volume: 408.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement