ChemSpider 2D Image | (3beta,5alpha,12beta)-24-(Benzylamino)-4,4,8,14-tetramethyl-18-norcholane-3,12,20-triol | C34H55NO3

(3β,5α,12β)-24-(Benzylamino)-4,4,8,14-tetramethyl-18-norcholane-3,12,20-triol

  • Molecular FormulaC34H55NO3
  • Average mass525.805 Da
  • Monoisotopic mass525.418213 Da
  • ChemSpider ID30813086

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,5α,12β)-24-(Benzylamino)-4,4,8,14-tetramethyl-18-norcholan-3,12,20-triol [German] [ACD/IUPAC Name]
(3β,5α,12β)-24-(Benzylamino)-4,4,8,14-tetramethyl-18-norcholane-3,12,20-triol [ACD/IUPAC Name]
(3β,5α,12β)-24-(Benzylamino)-4,4,8,14-tétraméthyl-18-norcholane-3,12,20-triol [French] [ACD/IUPAC Name]
Gonane-3,12-diol, 17-[(1S)-1-hydroxy-1-methyl-4-[(phenylmethyl)amino]butyl]-4,4,8,10,14-pentamethyl-, (3β,5α,12β,17β)- [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: 627.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 4.2±22.1 °C
Index of Refraction: 1.553
Molar Refractivity: 156.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.91
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 24.00
ACD/KOC (pH 5.5): 45.27
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 132.89
ACD/KOC (pH 7.4): 250.73
Polar Surface Area: 73 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 487.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement