ChemSpider 2D Image | (S)-trichostatic acid | C17H21NO3

(S)-trichostatic acid

  • Molecular FormulaC17H21NO3
  • Average mass287.353 Da
  • Monoisotopic mass287.152130 Da
  • ChemSpider ID21865403

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E,4E,6S)-7-[4-(Dimethylamino)phenyl]-4,6-dimethyl-7-oxo-2,4-heptadienoic acid [ACD/IUPAC Name]
(2E,4E,6S)-7-[4-(Dimethylamino)phenyl]-4,6-dimethyl-7-oxo-2,4-heptadiensäure [German] [ACD/IUPAC Name]
(S)-trichostatic acid
2,4-Heptadienoic acid, 7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxo-, (2E,4E,6S)- [ACD/Index Name]
Acide (2E,4E,6S)-7-[4-(diméthylamino)phényl]-4,6-diméthyl-7-oxo-2,4-heptadiénoïque [French] [ACD/IUPAC Name]
(-)-trichostatic acid
(-)-Trichostatsaeure
(2E,4E,6S)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid
5284074 [Beilstein]
68690-19-7 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 497.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 254.9±27.3 °C
Index of Refraction: 1.573
Molar Refractivity: 84.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 12.74
ACD/KOC (pH 5.5): 122.44
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.94
Polar Surface Area: 58 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 256.5±3.0 cm3

Click to predict properties on the Chemicalize site


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