ChemSpider 2D Image | (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(2S)-4-benzyl-2-(tert-butylcarbamoyl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate | C31H44N4O5

(3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(2S)-4-benzyl-2-(tert-butylcarbamoyl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate

  • Molecular FormulaC31H44N4O5
  • Average mass552.705 Da
  • Monoisotopic mass552.331177 Da
  • ChemSpider ID407026

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S)-Tetrahydro-3-furanyl [(2S,3R)-4-{(2S)-4-benzyl-2-[(2-methyl-2-propanyl)carbamoyl]-1-piperazinyl}-3-hydroxy-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3S)-Tetrahydro-3-furanyl-[(2S,3R)-4-{(2S)-4-benzyl-2-[(2-methyl-2-propanyl)carbamoyl]-1-piperazinyl}-3-hydroxy-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
(3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(2S)-4-benzyl-2-(tert-butylcarbamoyl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
[(2S,3R)-4-{(2S)-4-Benzyl-2-[(2-méthyl-2-propanyl)carbamoyl]-1-pipérazinyl}-3-hydroxy-1-phényl-2-butanyl]carbamate de (3S)-tétrahydro-3-furanyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[(2S)-2-[[(1,1-dimethylethyl)amino]carbonyl]-4-(phenylmethyl)-1-piperazinyl]-2-hydroxy-1-(phenylmethyl)propyl]-, (3S)-tetrahydro-3-furanyl ester [ACD/Index Name]
[(1S,2R)-1-Benzyl-3-(4-benzyl-2-tert-butylcarbamoyl-piperazin-1-yl)-2-hydroxy-propyl]-carbamic acid (S)-(tetrahydro-furan-3-yl) ester
L-735,524 analog

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

AIDS032506 [DBID]
AIDS-032506 [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: 754.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 410.2±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 155.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 38.63
ACD/KOC (pH 5.5): 360.95
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.11
ACD/KOC (pH 7.4): 935.42
Polar Surface Area: 103 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 454.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement