ChemSpider 2D Image | Methyl (3S)-3-hydroxy-3-[6-(4-{[(3-hydroxy-2,2-dimethyl-7-phenylheptanoyl)amino]methyl}-1H-1,2,3-triazol-1-yl)-1-hexyn-1-yl]-2-(hydroxymethyl)-4,4-dimethyl-5-oxo-D-prolinate | C33H47N5O7

Methyl (3S)-3-hydroxy-3-[6-(4-{[(3-hydroxy-2,2-dimethyl-7-phenylheptanoyl)amino]methyl}-1H-1,2,3-triazol-1-yl)-1-hexyn-1-yl]-2-(hydroxymethyl)-4,4-dimethyl-5-oxo-D-prolinate

  • Molecular FormulaC33H47N5O7
  • Average mass625.756 Da
  • Monoisotopic mass625.347534 Da
  • ChemSpider ID24669500

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3S)-3-Hydroxy-3-[6-(4-{[(3-hydroxy-2,2-diméthyl-7-phénylheptanoyl)amino]méthyl}-1H-1,2,3-triazol-1-yl)-1-hexyn-1-yl]-2-(hydroxyméthyl)-4,4-diméthyl-5-oxo-D-prolinate de méthyle [French] [ACD/IUPAC Name]
D-Proline, 3-hydroxy-3-[6-[4-[[(3-hydroxy-2,2-dimethyl-1-oxo-7-phenylheptyl)amino]methyl]-1H-1,2,3-triazol-1-yl]-1-hexyn-1-yl]-2-(hydroxymethyl)-4,4-dimethyl-5-oxo-, methyl ester, (3S)- [ACD/Index Name]
Methyl (3S)-3-hydroxy-3-[6-(4-{[(3-hydroxy-2,2-dimethyl-7-phenylheptanoyl)amino]methyl}-1H-1,2,3-triazol-1-yl)-1-hexyn-1-yl]-2-(hydroxymethyl)-4,4-dimethyl-5-oxo-D-prolinate [ACD/IUPAC Name]
Methyl-(3S)-3-hydroxy-3-[6-(4-{[(3-hydroxy-2,2-dimethyl-7-phenylheptanoyl)amino]methyl}-1H-1,2,3-triazol-1-yl)-1-hexin-1-yl]-2-(hydroxymethyl)-4,4-dimethyl-5-oxo-D-prolinat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.579
Molar Refractivity: 170.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 36.92
ACD/KOC (pH 5.5): 460.47
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.89
ACD/KOC (pH 7.4): 460.12
Polar Surface Area: 176 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 514.1±7.0 cm3

Click to predict properties on the Chemicalize site


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