ChemSpider 2D Image | ROMe | C20H35NO2

ROMe

  • Molecular FormulaC20H35NO2
  • Average mass321.497 Da
  • Monoisotopic mass321.266785 Da
  • ChemSpider ID28667627

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Amino-2-(methoxymethyl)-4-(4-octylphenyl)-1-butanol [German] [ACD/IUPAC Name]
(2R)-2-Amino-2-(methoxymethyl)-4-(4-octylphenyl)-1-butanol [ACD/IUPAC Name]
(2R)-2-Amino-2-(méthoxyméthyl)-4-(4-octylphényl)-1-butanol [French] [ACD/IUPAC Name]
Benzenebutanol, β-amino-β-(methoxymethyl)-4-octyl-, (βR)- [ACD/Index Name]
ROMe
(R)-FTY720 methyl ether
(R)-FTY720-OMe
(2R)-2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol
(R)-2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol
(R)-FTY720 methyl ether
More...
  • Miscellaneous

    • Chemical Class:

      A 2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol that has R-configuration. It is a sphingosine kinase-2 inhibitor. ChEBI CHEBI:167668

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

Density: 1.0±0.1 g/cm3
Boiling Point: 464.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 234.7±28.7 °C
Index of Refraction: 1.513
Molar Refractivity: 98.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 6.02
ACD/KOC (pH 5.5): 17.68
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 102.65
ACD/KOC (pH 7.4): 301.34
Polar Surface Area: 55 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 327.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement