ChemSpider 2D Image | (4E)-6-[12-Hydroxy-4-(hydroxymethyl)-19-methyl-14,17,20-trioxaheptacyclo[9.8.1.0~1,9~.0~4,8~.0~12,19~.0~13,15~.0~16,18~]icos-9-en-5-yl]-2,3-dimethyl-4-heptenoic acid | C28H38O7

(4E)-6-[12-Hydroxy-4-(hydroxymethyl)-19-methyl-14,17,20-trioxaheptacyclo[9.8.1.01,9.04,8.012,19.013,15.016,18]icos-9-en-5-yl]-2,3-dimethyl-4-heptenoic acid

  • Molecular FormulaC28H38O7
  • Average mass486.597 Da
  • Monoisotopic mass486.261749 Da
  • ChemSpider ID77484170

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-6-[12-Hydroxy-4-(hydroxymethyl)-19-methyl-14,17,20-trioxaheptacyclo[9.8.1.01,9.04,8.012,19.013,15.016,18]icos-9-en-5-yl]-2,3-dimethyl-4-heptenoic acid [ACD/IUPAC Name]
(4E)-6-[12-Hydroxy-4-(hydroxymethyl)-19-methyl-14,17,20-trioxaheptacyclo[9.8.1.01,9.04,8.012,19.013,15.016,18]icos-9-en-5-yl]-2,3-dimethyl-4-heptensäure [German] [ACD/IUPAC Name]
Acide (4E)-6-[12-hydroxy-4-(hydroxyméthyl)-19-méthyl-14,17,20-trioxaheptacyclo[9.8.1.01,9.04,8.012,19.013,15.016,18]icos-9-én-5-yl]-2,3-diméthyl-4-hepténoïque [French] [ACD/IUPAC Name]
(E)-6-[12-hydroxy-4-(hydroxymethyl)-19-methyl-14,17,20-trioxaheptacyclo[9.8.1.01,9.04,8.012,19.013,15.016,18]icos-9-en-5-yl]-2,3-dimethylhept-4-enoic acid
Compound NP-020474

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

Density: 1.4±0.1 g/cm3
Boiling Point: 673.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±6.0 kJ/mol
Flash Point: 224.2±25.0 °C
Index of Refraction: 1.630
Molar Refractivity: 126.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 71.22
ACD/KOC (pH 5.5): 396.25
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 1.12
ACD/KOC (pH 7.4): 6.23
Polar Surface Area: 112 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 356.5±5.0 cm3

Click to predict properties on the Chemicalize site


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