ChemSpider 2D Image | (3S,4S)-1-{[cis-1-Hydroxy-4-(2-methyl-2-propanyl)cyclohexyl]methyl}-3-[(2,3,5-trimethylphenoxy)methyl]-3,4-piperidinediol | C26H43NO4

(3S,4S)-1-{[cis-1-Hydroxy-4-(2-methyl-2-propanyl)cyclohexyl]methyl}-3-[(2,3,5-trimethylphenoxy)methyl]-3,4-piperidinediol

  • Molecular FormulaC26H43NO4
  • Average mass433.624 Da
  • Monoisotopic mass433.319214 Da
  • ChemSpider ID68411692

  • 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-[(2,3,5-trimethylphenoxy)methyl]-3,4-piperidindiol [German] [ACD/IUPAC Name]
(3S,4S)-1-{[cis-1-Hydroxy-4-(2-methyl-2-propanyl)cyclohexyl]methyl}-3-[(2,3,5-trimethylphenoxy)methyl]-3,4-piperidinediol [ACD/IUPAC Name]
(3S,4S)-1-{[cis-1-Hydroxy-4-(2-méthyl-2-propanyl)cyclohexyl]méthyl}-3-[(2,3,5-triméthylphénoxy)méthyl]-3,4-pipéridinediol [French] [ACD/IUPAC Name]
3,4-Piperidinediol, 1-[[cis-4-(1,1-dimethylethyl)-1-hydroxycyclohexyl]methyl]-3-[(2,3,5-trimethylphenoxy)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: 579.2±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 304.1±26.8 °C
Index of Refraction: 1.555
Molar Refractivity: 125.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 4.19
ACD/KOC (pH 5.5): 15.86
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 167.78
ACD/KOC (pH 7.4): 634.57
Polar Surface Area: 73 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 389.9±3.0 cm3

Click to predict properties on the Chemicalize site


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