ChemSpider 2D Image | (2Z)-4-[(3S)-1-(Benzylsulfonyl)-3-(4-chlorobenzyl)-3-piperidinyl]-2-hydroxy-4-oxo-2-butenoic acid | C23H24ClNO6S

(2Z)-4-[(3S)-1-(Benzylsulfonyl)-3-(4-chlorobenzyl)-3-piperidinyl]-2-hydroxy-4-oxo-2-butenoic acid

  • Molecular FormulaC23H24ClNO6S
  • Average mass477.958 Da
  • Monoisotopic mass477.101288 Da
  • ChemSpider ID35035780

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2Z)-4-[(3S)-1-(Benzylsulfonyl)-3-(4-chlorbenzyl)-3-piperidinyl]-2-hydroxy-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
(2Z)-4-[(3S)-1-(Benzylsulfonyl)-3-(4-chlorobenzyl)-3-piperidinyl]-2-hydroxy-4-oxo-2-butenoic acid [ACD/IUPAC Name]
(2z)-4-[(3s)-1-(Benzylsulfonyl)-3-(4-Chlorobenzyl)piperidin-3-Yl]-2-Hydroxy-4-Oxobut-2-Enoic Acid
2-Butenoic acid, 4-[(3S)-3-[(4-chlorophenyl)methyl]-1-[(phenylmethyl)sulfonyl]-3-piperidinyl]-2-hydroxy-4-oxo-, (2Z)- [ACD/Index Name]
Acide (2Z)-4-[(3S)-1-(benzylsulfonyl)-3-(4-chlorobenzyl)-3-pipéridinyl]-2-hydroxy-4-oxo-2-buténoïque [French] [ACD/IUPAC Name]
CI1

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

Density: 1.5±0.1 g/cm3
Boiling Point: 693.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 373.5±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 120.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 3.94
ACD/KOC (pH 5.5): 28.10
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 329.3±5.0 cm3

Click to predict properties on the Chemicalize site


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