ChemSpider 2D Image | (3S,4S)-1-{[cis-1-Hydroxy-4-(2-methyl-2-propanyl)cyclohexyl]methyl}-3-[(3-methylphenoxy)methyl]-3,4-piperidinediol | C24H39NO4

(3S,4S)-1-{[cis-1-Hydroxy-4-(2-methyl-2-propanyl)cyclohexyl]methyl}-3-[(3-methylphenoxy)methyl]-3,4-piperidinediol

  • Molecular FormulaC24H39NO4
  • Average mass405.571 Da
  • Monoisotopic mass405.287903 Da
  • ChemSpider ID68413041

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,4S)-1-{[cis-1-Hydroxy-4-(2-methyl-2-propanyl)cyclohexyl]methyl}-3-[(3-methylphenoxy)methyl]-3,4-piperidindiol [German] [ACD/IUPAC Name]
(3S,4S)-1-{[cis-1-Hydroxy-4-(2-methyl-2-propanyl)cyclohexyl]methyl}-3-[(3-methylphenoxy)methyl]-3,4-piperidinediol [ACD/IUPAC Name]
(3S,4S)-1-{[cis-1-Hydroxy-4-(2-méthyl-2-propanyl)cyclohexyl]méthyl}-3-[(3-méthylphénoxy)méthyl]-3,4-pipéridinediol [French] [ACD/IUPAC Name]
3,4-Piperidinediol, 1-[[cis-4-(1,1-dimethylethyl)-1-hydroxycyclohexyl]methyl]-3-[(3-methylphenoxy)methyl]-, (3S,4S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 288.8±25.4 °C
Index of Refraction: 1.560
Molar Refractivity: 115.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 1.85
ACD/KOC (pH 5.5): 8.84
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 74.17
ACD/KOC (pH 7.4): 354.07
Polar Surface Area: 73 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 357.4±3.0 cm3

Click to predict properties on the Chemicalize site


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