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Search term: PKCGAGXONWDTRK-NSISKUIASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3R)-4-(4-Chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)-1-pyrrolidinyl]-3-hydroxy-1-butanone | C21H23Cl2NO3

(3R)-4-(4-Chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)-1-pyrrolidinyl]-3-hydroxy-1-butanone

  • Molecular FormulaC21H23Cl2NO3
  • Average mass408.318 Da
  • Monoisotopic mass407.105499 Da
  • ChemSpider ID35035680

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R)-4-(4-Chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)-1-pyrrolidinyl]-3-hydroxy-1-butanone [ACD/IUPAC Name]
(3R)-4-(4-Chlorophényl)-1-[(3S,4R)-3-(4-chlorophényl)-4-(hydroxyméthyl)-1-pyrrolidinyl]-3-hydroxy-1-butanone [French] [ACD/IUPAC Name]
(3r)-4-(4-Chlorophenyl)-1-[(3s,4r)-3-(4-Chlorophenyl)-4-(Hydroxymethyl)pyrrolidin-1-Yl]-3-Hydroxybutan-1-One
(3R)-4-(4-Chlorphenyl)-1-[(3S,4R)-3-(4-chlorphenyl)-4-(hydroxymethyl)-1-pyrrolidinyl]-3-hydroxy-1-butanon [German] [ACD/IUPAC Name]
1-Butanone, 4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)-1-pyrrolidinyl]-3-hydroxy-, (3R)- [ACD/Index Name]
A62

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

Density: 1.3±0.1 g/cm3
Boiling Point: 614.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 325.1±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 106.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 382.34
ACD/KOC (pH 5.5): 2455.42
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 382.34
ACD/KOC (pH 7.4): 2455.42
Polar Surface Area: 61 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 309.3±3.0 cm3

Click to predict properties on the Chemicalize site


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