ChemSpider 2D Image | (4S)-4-Cyclohexyl-1-{[(R)-{(1S)-2-methyl-1-[(~2~H_5_)propanoyloxy]propoxy}(4-phenylbutyl)phosphoryl]acetyl}-L-proline | C30H41D5NO7P

(4S)-4-Cyclohexyl-1-{[(R)-{(1S)-2-methyl-1-[(2H5)propanoyloxy]propoxy}(4-phenylbutyl)phosphoryl]acetyl}-L-proline

  • Molecular FormulaC30H41D5NO7P
  • Average mass568.693 Da
  • Monoisotopic mass568.332581 Da
  • ChemSpider ID58783732

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4S)-4-Cyclohexyl-1-{[(R)-{(1S)-2-methyl-1-[(2H5)propanoyloxy]propoxy}(4-phenylbutyl)phosphoryl]acetyl}-L-prolin [German] [ACD/IUPAC Name]
(4S)-4-Cyclohexyl-1-{[(R)-{(1S)-2-methyl-1-[(2H5)propanoyloxy]propoxy}(4-phenylbutyl)phosphoryl]acetyl}-L-proline [ACD/IUPAC Name]
(4S)-4-Cyclohexyl-1-{2-[(R)-{(1S)-2-méthyl-1-[(2H5)propanoyloxy]propoxy}(4-phénylbutyl)phosphoryl]acétyl}-L-proline [French] [ACD/IUPAC Name]
L-Proline, 4-cyclohexyl-1-[2-[(R)-[(1S)-2-methyl-1-[(1-oxopropyl-2,2,3,3,3-d5)oxy]propoxy][(1R)-4-phenylbutyl]phosphinyl]acetyl]-, (4S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 705.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 380.6±35.7 °C
Index of Refraction: 1.532
Molar Refractivity: 148.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 63.62
ACD/KOC (pH 5.5): 170.20
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 2.27
ACD/KOC (pH 7.4): 6.07
Polar Surface Area: 120 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 480.4±3.0 cm3

Click to predict properties on the Chemicalize site


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