ChemSpider 2D Image | O-2545 | C26H36N2O2

O-2545

  • Molecular FormulaC26H36N2O2
  • Average mass408.576 Da
  • Monoisotopic mass408.277679 Da
  • ChemSpider ID22938186
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(6aR,10aR)-3-[6-(1H-Imidazol-1-yl)-2-methyl-2-hexanyl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
(6aR,10aR)-3-[6-(1H-Imidazol-1-yl)-2-methyl-2-hexanyl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
(6aR,10aR)-3-[6-(1H-Imidazol-1-yl)-2-méthyl-2-hexanyl]-6,6,9-triméthyl-6a,7,10,10a-tétrahydro-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-1-ol, 6a,7,10,10a-tetrahydro-3-[5-(1H-imidazol-1-yl)-1,1-dimethylpentyl]-6,6,9-trimethyl-, (6aR,10aR)- [ACD/Index Name]
O-2545 [Wiki]
(6aR,10aR)-3-[6-(1H-Imidazol-1-yl)-2-methylhexan-2-yl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol
874745-42-3 [RN]
O-2545 HYDROCHLORIDE;(6AR,10AR)-6A,7,10,10A-TETRAHYDRO-3-[5-(1H-IMIDAZOL-1-YL)-1,1-DIMETHYLPENTYL]-6,6,9-TRIMETHYL-6H-DIBENZO[B,D]PYRAN-1-OLHYDROCHLORIDE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 531.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 275.5±30.1 °C
Index of Refraction: 1.586
Molar Refractivity: 121.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 1403.86
ACD/KOC (pH 5.5): 2278.87
ACD/LogD (pH 7.4): 6.30
ACD/BCF (pH 7.4): 32734.99
ACD/KOC (pH 7.4): 53138.35
Polar Surface Area: 47 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 39.7±7.0 dyne/cm
Molar Volume: 362.5±7.0 cm3

Click to predict properties on the Chemicalize site





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