ChemSpider 2D Image | rosiptor | C20H35NO2

rosiptor

  • Molecular FormulaC20H35NO2
  • Average mass321.497 Da
  • Monoisotopic mass321.266785 Da
  • ChemSpider ID34986541

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,3S,4R)-4-[(3aS,4R,5S,7aS)-4-(Aminomethyl)-7a-methyl-1-methyleneoctahydro-1H-inden-5-yl]-3-(hydroxymethyl)-4-methylcyclohexanol [ACD/IUPAC Name]
(1S,3S,4R)-4-[(3aS,4R,5S,7aS)-4-(Aminométhyl)-7a-méthyl-1-méthylèneoctahydro-1H-indén-5-yl]-3-(hydroxyméthyl)-4-méthylcyclohexanol [French] [ACD/IUPAC Name]
(1S,3S,4R)-4-[(3aS,4R,5S,7aS)-4-(Aminomethyl)-7a-methyl-1-methylenoctahydro-1H-inden-5-yl]-3-(hydroxymethyl)-4-methylcyclohexanol [German] [ACD/IUPAC Name]
6R5034F862
782487-28-9 [RN]
Cyclohexanemethanol, 2-[(3aS,4R,5S,7aS)-4-(aminomethyl)octahydro-7a-methyl-1-methylene-1H-inden-5-yl]-5-hydroxy-2-methyl-, (1S,2R,5S)- [ACD/Index Name]
rosiptor [INN] [USAN]
rosiptor [French] [INN]
rosiptor [Spanish] [INN]
rosiptorum [Latin] [INN]
More...

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

10126 [DBID]
AQX-1125 [DBID]
AQX-1125 free base [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 451.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.0±6.0 kJ/mol
Flash Point: 226.9±28.7 °C
Index of Refraction: 1.547
Molar Refractivity: 94.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.43
Polar Surface Area: 66 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 298.6±5.0 cm3

Click to predict properties on the Chemicalize site


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