Found 13 results

Search term: VCCBCXVFGHTDQN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (9R)-10-[(2S)-2-(Benzyloxy)propyl]-1,13,13-trimethyl-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-6-ol | C25H33NO2

(9R)-10-[(2S)-2-(Benzyloxy)propyl]-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-6-ol

  • Molecular FormulaC25H33NO2
  • Average mass379.535 Da
  • Monoisotopic mass379.251129 Da
  • ChemSpider ID28942566

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(9R)-10-[(2S)-2-(Benzyloxy)propyl]-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-6-ol [German] [ACD/IUPAC Name]
(9R)-10-[(2S)-2-(Benzyloxy)propyl]-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-6-ol [ACD/IUPAC Name]
(9R)-10-[(2S)-2-(Benzyloxy)propyl]-1,13,13-triméthyl-10-azatricyclo[7.3.1.02,7]tridéca-2,4,6-trién-6-ol [French] [ACD/IUPAC Name]
2,6-Methano-3-benzazocin-10-ol, 1,2,3,4,5,6-hexahydro-6,11,11-trimethyl-3-[(2S)-2-(phenylmethoxy)propyl]-, (2R)- [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: 483.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 246.3±28.7 °C
Index of Refraction: 1.566
Molar Refractivity: 114.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 3.30
ACD/KOC (pH 5.5): 12.25
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 94.46
ACD/KOC (pH 7.4): 350.58
Polar Surface Area: 33 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 351.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement