ChemSpider 2D Image | (2E,4E)-5-[(1R,2R,3S,4S,4aS,6R,8R,8aR)-4-Chloro-3,6-dihydroxy-2,6,8-trimethyldecahydro-1-naphthalenyl]-2,4-pentadienoic acid | C18H27ClO4

(2E,4E)-5-[(1R,2R,3S,4S,4aS,6R,8R,8aR)-4-Chloro-3,6-dihydroxy-2,6,8-trimethyldecahydro-1-naphthalenyl]-2,4-pentadienoic acid

  • Molecular FormulaC18H27ClO4
  • Average mass342.858 Da
  • Monoisotopic mass342.159790 Da
  • ChemSpider ID35517052

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2E,4E)-5-[(1R,2R,3S,4S,4aS,6R,8R,8aR)-4-Chlor-3,6-dihydroxy-2,6,8-trimethyldecahydro-1-naphthalinyl]-2,4-pentadiensäure [German] [ACD/IUPAC Name]
(2E,4E)-5-[(1R,2R,3S,4S,4aS,6R,8R,8aR)-4-Chloro-3,6-dihydroxy-2,6,8-trimethyldecahydro-1-naphthalenyl]-2,4-pentadienoic acid [ACD/IUPAC Name]
2,4-Pentadienoic acid, 5-[(1R,2R,3S,4S,4aS,6R,8R,8aR)-4-chlorodecahydro-3,6-dihydroxy-2,6,8-trimethyl-1-naphthalenyl]-, (2E,4E)- [ACD/Index Name]
Acide (2E,4E)-5-[(1R,2R,3S,4S,4aS,6R,8R,8aR)-4-chloro-3,6-dihydroxy-2,6,8-triméthyldécahydro-1-naphtalényl]-2,4-pentadiénoïque [French] [ACD/IUPAC Name]
Tanzawaic acid P

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

Density: 1.2±0.1 g/cm3
Boiling Point: 529.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.5±6.0 kJ/mol
Flash Point: 274.0±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 90.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 4.33
ACD/KOC (pH 5.5): 49.94
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 279.3±5.0 cm3

Click to predict properties on the Chemicalize site


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