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Search term: XMKMDOUQICPTJS (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 30-oxoarthrinic methyl ester | C33H54O9

30-oxoarthrinic methyl ester

  • Molecular FormulaC33H54O9
  • Average mass594.776 Da
  • Monoisotopic mass594.376770 Da
  • ChemSpider ID110417225
  • Double-bond stereo - Double-bond stereo


More details:






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

(6E,10E,14E,18E,20Z)-20-Formyl-2,3,5,9,13,17-hexahydroxy-14,16,18,22,24-pentaméthyl-6,10,14,18,20-hexacosapentaénoate de méthyle [French] [ACD/IUPAC Name]
30-oxoarthrinic methyl ester
6,10,14,18,20-Hexacosapentaenoic acid, 20-formyl-2,3,5,9,13,17-hexahydroxy-14,16,18,22,24-pentamethyl-, methyl ester, (6E,10E,14E,18E,20Z)- [ACD/Index Name]
Methyl (6E,10E,14E,18E,20Z)-20-formyl-2,3,5,9,13,17-hexahydroxy-14,16,18,22,24-pentamethyl-6,10,14,18,20-hexacosapentaenoate [ACD/IUPAC Name]
Methyl-(6E,10E,14E,18E,20Z)-20-formyl-2,3,5,9,13,17-hexahydroxy-14,16,18,22,24-pentamethyl-6,10,14,18,20-hexacosapentaenoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 773.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.4±6.0 kJ/mol
Flash Point: 236.0±26.4 °C
Index of Refraction: 1.537
Molar Refractivity: 165.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 112.91
ACD/KOC (pH 5.5): 1025.54
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 112.91
ACD/KOC (pH 7.4): 1025.52
Polar Surface Area: 165 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 530.0±3.0 cm3

Click to predict properties on the Chemicalize site






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