ChemSpider 2D Image | (Cyclohexylmethyl)[(2R)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]ammonio}-2-hydroxypropyl]phosphinate | C18H28Cl2NO3P

(Cyclohexylmethyl)[(2R)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]ammonio}-2-hydroxypropyl]phosphinate

  • Molecular FormulaC18H28Cl2NO3P
  • Average mass408.300 Da
  • Monoisotopic mass407.118378 Da
  • ChemSpider ID62480899

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(Cyclohexylmethyl)[(2R)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid [ACD/IUPAC Name]
(Cyclohexylmethyl)[(2R)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]ammonio}-2-hydroxypropyl]phosphinate [ACD/IUPAC Name]
(Cyclohexylméthyl)[(2R)-3-{[(1S)-1-(3,4-dichlorophényl)éthyl]ammonio}-2-hydroxypropyl]phosphinate [French] [ACD/IUPAC Name]
(Cyclohexylmethyl)[(2R)-3-{[(1S)-1-(3,4-dichlorphenyl)ethyl]amino}-2-hydroxypropyl]phosphinsäure [German] [ACD/IUPAC Name]
(Cyclohexylmethyl)[(2R)-3-{[(1S)-1-(3,4-dichlorphenyl)ethyl]ammonio}-2-hydroxypropyl]phosphinat [German] [ACD/IUPAC Name]
Acide (cyclohexylméthyl)[(2R)-3-{[(1S)-1-(3,4-dichlorophényl)éthyl]amino}-2-hydroxypropyl]phosphinique [French] [ACD/IUPAC Name]
Benzenemethanaminium, 3,4-dichloro-N-[(2R)-3-[(cyclohexylmethyl)hydroxyphosphinyl]-2-hydroxypropyl]-α-methyl-, inner salt, (αS)- [ACD/Index Name]
Phosphinic acid, P-(cyclohexylmethyl)-P-[(2R)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]- [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: 632.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 336.3±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 103.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 1.63
ACD/KOC (pH 5.5): 9.60
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.68
Polar Surface Area: 79 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 323.8±3.0 cm3

Click to predict properties on the Chemicalize site


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