ChemSpider 2D Image | (+)-tretoquinol | C19H23NO5

(+)-tretoquinol

  • Molecular FormulaC19H23NO5
  • Average mass345.390 Da
  • Monoisotopic mass345.157623 Da
  • ChemSpider ID26340931
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(+)-tretoquinol
(1R)-1-(3,4,5-Trimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-isochinolindiol [German] [ACD/IUPAC Name]
(1R)-1-(3,4,5-Triméthoxybenzyl)-1,2,3,4-tétrahydro-6,7-isoquinoléinediol [French] [ACD/IUPAC Name]
(1R)-1-(3,4,5-Trimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-isoquinolinediol [ACD/IUPAC Name]
36478-07-6 [RN]
6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-[(3,4,5-trimethoxyphenyl)methyl]-, (1R)- [ACD/Index Name]
21650-42-0 [RN]
PDSP1_000590
PDSP2_000587
TMQ, R-(+)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

R3W0Z48O6V [DBID]
UNII:R3W0Z48O6V [DBID]
UNII-R3W0Z48O6V [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 533.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 276.3±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 94.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.64
Polar Surface Area: 80 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 279.5±3.0 cm3

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