ChemSpider 2D Image | (3R,5S)-5-Cyclohexyl-1-{[(R)-[(1S)-2-methyl-1-(propionyloxy)propoxy](4-phenylbutyl)phosphoryl]acetyl}-3-pyrrolidinecarboxylic acid | C30H46NO7P

(3R,5S)-5-Cyclohexyl-1-{[(R)-[(1S)-2-methyl-1-(propionyloxy)propoxy](4-phenylbutyl)phosphoryl]acetyl}-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC30H46NO7P
  • Average mass563.662 Da
  • Monoisotopic mass563.301208 Da
  • ChemSpider ID9759868

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,5S)-5-Cyclohexyl-1-{[(R)-[(1S)-2-methyl-1-(propionyloxy)propoxy](4-phenylbutyl)phosphoryl]acetyl}-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3R,5S)-5-Cyclohexyl-1-{[(R)-[(1S)-2-methyl-1-(propionyloxy)propoxy](4-phenylbutyl)phosphoryl]acetyl}-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 5-cyclohexyl-1-[2-[(R)-[(1S)-2-methyl-1-(1-oxopropoxy)propoxy][(1R)-4-phenylbutyl]phosphinyl]acetyl]-, (3R,5S)- [ACD/Index Name]
Acide (3R,5S)-5-cyclohexyl-1-{2-[(R)-[(1S)-2-méthyl-1-(propionyloxy)propoxy](4-phénylbutyl)phosphoryl]acétyl}-3-pyrrolidinecarboxylique [French] [ACD/IUPAC 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: 6.02
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 250.02
ACD/KOC (pH 5.5): 821.76
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 4.06
ACD/KOC (pH 7.4): 13.35
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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