Found 1 result

Search term: YGVFJBBOHDKSJL-FUMNGEBKSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2R,3R,4S)-2-[({(1R)-2-[(4-Fluorophenoxy)methoxy]-1-phenylethyl}amino)methyl]-3,4-pyrrolidinediol | C20H25FN2O4

(2R,3R,4S)-2-[({(1R)-2-[(4-Fluorophenoxy)methoxy]-1-phenylethyl}amino)methyl]-3,4-pyrrolidinediol

  • Molecular FormulaC20H25FN2O4
  • Average mass376.422 Da
  • Monoisotopic mass376.179840 Da
  • ChemSpider ID28647305

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3R,4S)-2-[({(1R)-2-[(4-Fluorophenoxy)methoxy]-1-phenylethyl}amino)methyl]-3,4-pyrrolidinediol [ACD/IUPAC Name]
(2R,3R,4S)-2-[({(1R)-2-[(4-Fluorophénoxy)méthoxy]-1-phényléthyl}amino)méthyl]-3,4-pyrrolidinediol [French] [ACD/IUPAC Name]
(2R,3R,4S)-2-[({(1R)-2-[(4-Fluorphenoxy)methoxy]-1-phenylethyl}amino)methyl]-3,4-pyrrolidindiol [German] [ACD/IUPAC Name]
3,4-Pyrrolidinediol, 2-[[[(1R)-2-[(4-fluorophenoxy)methoxy]-1-phenylethyl]amino]methyl]-, (2R,3R,4S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 547.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 285.0±30.1 °C
Index of Refraction: 1.582
Molar Refractivity: 99.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): -2.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.70
Polar Surface Area: 83 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 298.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement