ChemSpider 2D Image | (1R,9S,15S)-15-Amino-1-(~2~H_3_)methyltricyclo[7.5.1.0~2,7~]pentadeca-2,4,6-trien-4-ol | C16H20D3NO

(1R,9S,15S)-15-Amino-1-(2H3)methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol

  • Molecular FormulaC16H20D3NO
  • Average mass248.378 Da
  • Monoisotopic mass248.196793 Da
  • ChemSpider ID58781528

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,9S,15S)-15-Amino-1-(2H3)methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol [German] [ACD/IUPAC Name]
(1R,9S,15S)-15-Amino-1-(2H3)methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol [ACD/IUPAC Name]
(1R,9S,15S)-15-Amino-1-(2H3)méthyltricyclo[7.5.1.02,7]pentadéca-2,4,6-trién-4-ol [French] [ACD/IUPAC Name]
5,11-Methanobenzocyclodecen-3-ol, 13-amino-5,6,7,8,9,10,11,12-octahydro-5-(methyl-d3)-, (5R,11S,13S)- [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: 392.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 191.3±27.9 °C
Index of Refraction: 1.568
Molar Refractivity: 74.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.99
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.99
Polar Surface Area: 46 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 226.7±3.0 cm3

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