Found 1 result

Search term: 78436932 (Found by CSID)
ChemSpider 2D Image | (2E,4E,6E)-7-{(1S,2R,4aR,8aR)-3,6-Dimethyl-2-[(2E,4R)-4-methyl-2-hexen-2-yl]-1,2,4a,5,8,8a-hexahydro-1-naphthalenyl}-2,4,6-heptatrienoic acid | C26H36O2

(2E,4E,6E)-7-{(1S,2R,4aR,8aR)-3,6-Dimethyl-2-[(2E,4R)-4-methyl-2-hexen-2-yl]-1,2,4a,5,8,8a-hexahydro-1-naphthalenyl}-2,4,6-heptatrienoic acid

  • Molecular FormulaC26H36O2
  • Average mass380.563 Da
  • Monoisotopic mass380.271515 Da
  • ChemSpider ID78436932

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2E,4E,6E)-7-{(1S,2R,4aR,8aR)-3,6-Dimethyl-2-[(2E,4R)-4-methyl-2-hexen-2-yl]-1,2,4a,5,8,8a-hexahydro-1-naphthalenyl}-2,4,6-heptatrienoic acid [ACD/IUPAC Name]
(2E,4E,6E)-7-{(1S,2R,4aR,8aR)-3,6-Dimethyl-2-[(2E,4R)-4-methyl-2-hexen-2-yl]-1,2,4a,5,8,8a-hexahydro-1-naphthalinyl}-2,4,6-heptatriensäure [German] [ACD/IUPAC Name]
2,4,6-Heptatrienoic acid, 7-[(1S,2R,4aR,8aR)-2-[(1E,3R)-1,3-dimethyl-1-penten-1-yl]-1,2,4a,5,8,8a-hexahydro-3,6-dimethyl-1-naphthalenyl]-, (2E,4E,6E)- [ACD/Index Name]
Acide (2E,4E,6E)-7-{(1S,2R,4aR,8aR)-3,6-diméthyl-2-[(2E,4R)-4-méthyl-2-hexén-2-yl]-1,2,4a,5,8,8a-hexahydro-1-naphtalényl}-2,4,6-heptatriénoïque [French] [ACD/IUPAC Name]
Pyrenulic acid B

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

Density: 1.0±0.1 g/cm3
Boiling Point: 529.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 88.1±6.0 kJ/mol
Flash Point: 405.6±21.0 °C
Index of Refraction: 1.558
Molar Refractivity: 120.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.61
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 22199.32
ACD/KOC (pH 5.5): 20924.08
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 356.88
ACD/KOC (pH 7.4): 336.37
Polar Surface Area: 37 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 375.2±3.0 cm3

Click to predict properties on the Chemicalize site


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