ChemSpider 2D Image | (3S)-3-Cyclohexyl-1-({[2-methyl-1-(propionyloxy)propoxy](4-phenylbutyl)phosphoryl}acetyl)-D-proline | C30H46NO7P

(3S)-3-Cyclohexyl-1-({[2-methyl-1-(propionyloxy)propoxy](4-phenylbutyl)phosphoryl}acetyl)-D-proline

  • Molecular FormulaC30H46NO7P
  • Average mass563.662 Da
  • Monoisotopic mass563.301208 Da
  • ChemSpider ID46755940

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(3S)-3-Cyclohexyl-1-({[2-methyl-1-(propionyloxy)propoxy](4-phenylbutyl)phosphoryl}acetyl)-D-prolin [German] [ACD/IUPAC Name]
(3S)-3-Cyclohexyl-1-({[2-methyl-1-(propionyloxy)propoxy](4-phenylbutyl)phosphoryl}acetyl)-D-proline [ACD/IUPAC Name]
(3S)-3-Cyclohexyl-1-(2-{[2-méthyl-1-(propionyloxy)propoxy](4-phénylbutyl)phosphoryl}acétyl)-D-proline [French] [ACD/IUPAC Name]
D-Proline, 3-cyclohexyl-1-[2-[[2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetyl]-, (3S)- [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): 3.38
ACD/BCF (pH 5.5): 68.26
ACD/KOC (pH 5.5): 179.00
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 2.43
ACD/KOC (pH 7.4): 6.38
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

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