ChemSpider 2D Image | Adapalene | C28H28O3

Adapalene

  • Molecular FormulaC28H28O3
  • Average mass412.520 Da
  • Monoisotopic mass412.203857 Da
  • ChemSpider ID21395720

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Naphthalenecarboxylic acid, 6-(4-methoxy-3-tricyclo[3.3.1.13,7]dec-1-ylphenyl)- [ACD/Index Name]
6-(4-Methoxy-3-tricyclo[3.3.1.13,7]dec-1-ylphenyl)-2-naphthalenecarboxylic acid
6-[3-(1-Adamantyl)-4-methoxyphenyl]-2-naphthoic Acid
6-{3-[(3s,5s,7s)-Adamantan-1-yl]-4-methoxyphenyl}-2-naphthoesäure [German] [ACD/IUPAC Name]
6-{3-[(3s,5s,7s)-Adamantan-1-yl]-4-methoxyphenyl}-2-naphthoic acid [ACD/IUPAC Name]
Acide 6-{3-[(3s,5s,7s)-adamantan-1-yl]-4-méthoxyphényl}-2-naphtoïque [French] [ACD/IUPAC Name]
Adapalene [BAN] [INN] [JAN] [USAN] [Wiki]
CD-271
Differin [Trade name]
MFCD03106112 [MDL number]
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 606.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 205.9±25.0 °C
Index of Refraction: 1.655
Molar Refractivity: 122.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.04
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 9348.75
ACD/KOC (pH 5.5): 10406.30
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 251.15
ACD/KOC (pH 7.4): 279.56
Polar Surface Area: 47 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 334.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement