ChemSpider 2D Image | (3E,5E,7E,9E,11E,13R,14S,16S,18S,20R,22R,24S,26S,27E,29R,30R)-14,16,18,20,22,24,26-Heptahydroxy-30-isopropyl-13,29-dimethyloxacyclotriaconta-3,5,7,9,11,27-hexaen-2-one | C34H54O9

(3E,5E,7E,9E,11E,13R,14S,16S,18S,20R,22R,24S,26S,27E,29R,30R)-14,16,18,20,22,24,26-Heptahydroxy-30-isopropyl-13,29-dimethyloxacyclotriaconta-3,5,7,9,11,27-hexaen-2-one

  • Molecular FormulaC34H54O9
  • Average mass606.787 Da
  • Monoisotopic mass606.376770 Da
  • ChemSpider ID9072603

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3E,5E,7E,9E,11E,13R,14S,16S,18S,20R,22R,24S,26S,27E,29R,30R)-14,16,18,20,22,24,26-Heptahydroxy-30-isopropyl-13,29-dimethyloxacyclotriaconta-3,5,7,9,11,27-hexaen-2-on [German] [ACD/IUPAC Name]
(3E,5E,7E,9E,11E,13R,14S,16S,18S,20R,22R,24S,26S,27E,29R,30R)-14,16,18,20,22,24,26-Heptahydroxy-30-isopropyl-13,29-dimethyloxacyclotriaconta-3,5,7,9,11,27-hexaen-2-one [ACD/IUPAC Name]
(3E,5E,7E,9E,11E,13R,14S,16S,18S,20R,22R,24S,26S,27E,29R,30R)-14,16,18,20,22,24,26-Heptahydroxy-30-isopropyl-13,29-diméthyloxacyclotriaconta-3,5,7,9,11,27-hexaén-2-one [French] [ACD/IUPAC Name]
Oxacyclotriaconta-3,5,7,9,11,27-hexaen-2-one, 14,16,18,20,22,24,26-heptahydroxy-13,29-dimethyl-30-(1-methylethyl)-, (3E,5E,7E,9E,11E,13R,14S,16S,18S,20R,22R,24S,26S,27E,29R,30R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 845.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.6±6.0 kJ/mol
Flash Point: 260.6±27.8 °C
Index of Refraction: 1.521
Molar Refractivity: 167.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.80
ACD/KOC (pH 5.5): 215.85
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.80
ACD/KOC (pH 7.4): 215.85
Polar Surface Area: 168 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 550.5±3.0 cm3

Click to predict properties on the Chemicalize site


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