ChemSpider 2D Image | (5S,6S,12S)-5,12-Diisopropyl-3,10-dimethyl-5,6,12,13-tetrahydrobenzo[k]tetraphene-1,6,8-triol | C30H34O3

(5S,6S,12S)-5,12-Diisopropyl-3,10-dimethyl-5,6,12,13-tetrahydrobenzo[k]tetraphene-1,6,8-triol

  • Molecular FormulaC30H34O3
  • Average mass442.589 Da
  • Monoisotopic mass442.250793 Da
  • ChemSpider ID23323413

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5S,6S,12S)-3,10-dimethyl-5,12-di(propan-2-yl)-5,6,12,13-tetrahydrobenzo[k]tetraphene-1,6,8-triol
(5S,6S,12S)-5,12-Diisopropyl-3,10-dimethyl-5,6,12,13-tetrahydrobenzo[k]tetraphen-1,6,8-triol [German] [ACD/IUPAC Name]
(5S,6S,12S)-5,12-Diisopropyl-3,10-dimethyl-5,6,12,13-tetrahydrobenzo[k]tetraphene-1,6,8-triol [ACD/IUPAC Name]
(5S,6S,12S)-5,12-Diisopropyl-3,10-diméthyl-5,6,12,13-tétrahydrobenzo[k]tétraphène-1,6,8-triol [French] [ACD/IUPAC Name]
Dibenz[a,h]anthracene-1,6,8-triol, 5,6,12,13-tetrahydro-3,10-dimethyl-5,12-bis(1-methylethyl)-, (5S,6S,12S)- [ACD/Index Name]
(5S,6S,12S)-5,12-diisopropyl-3,10-dimethyl-5,6,12,13-tetrahydro-dibenzo[a,h]anthracene-1,6,8-triol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 657.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 285.4±26.1 °C
Index of Refraction: 1.633
Molar Refractivity: 133.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.39
ACD/LogD (pH 5.5): 7.81
ACD/BCF (pH 5.5): 507386.00
ACD/KOC (pH 5.5): 421967.00
ACD/LogD (pH 7.4): 7.76
ACD/BCF (pH 7.4): 456742.38
ACD/KOC (pH 7.4): 379849.28
Polar Surface Area: 61 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 373.3±3.0 cm3

Click to predict properties on the Chemicalize site


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