ChemSpider 2D Image | Dodecyl 2-[(4aR,5S,6aS,6bS,9aR)-5-hydroxy-4a,6a-dimethyl-2-oxo-8-propyl-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl carbonate | C38H58O8

Dodecyl 2-[(4aR,5S,6aS,6bS,9aR)-5-hydroxy-4a,6a-dimethyl-2-oxo-8-propyl-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl carbonate

  • Molecular FormulaC38H58O8
  • Average mass642.862 Da
  • Monoisotopic mass642.413147 Da
  • ChemSpider ID9529147

  • defined stereocentres - 5 of 9 defined stereocentres

More details:

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

Carbonate de dodécyle et de 2-[(4aR,5S,6aS,6bS,9aR)-5-hydroxy-4a,6a-diméthyl-2-oxo-8-propyl-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodécahydro-6bH-naphto[2',1':4,5]indéno[1,2-d][1,3]dioxol-6b-yl]-2-oxoéth yle [French] [ACD/IUPAC Name]
Carbonic acid, 2-[(4aR,5S,6aS,6bS,9aR)-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-4a,6a-dimethyl-2-oxo-8-propyl-6bH-naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl dodecyl es ter [ACD/Index Name]
Dodecyl 2-[(4aR,5S,6aS,6bS,9aR)-5-hydroxy-4a,6a-dimethyl-2-oxo-8-propyl-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl carbonate [ACD/IUPAC Name]
Dodecyl-2-[(4aR,5S,6aS,6bS,9aR)-5-hydroxy-4a,6a-dimethyl-2-oxo-8-propyl-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethylcarbonat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 715.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.4±6.0 kJ/mol
Flash Point: 211.6±26.4 °C
Index of Refraction: 1.545
Molar Refractivity: 176.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 9.68
ACD/LogD (pH 5.5): 9.03
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1956754.50
ACD/LogD (pH 7.4): 9.03
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1956754.50
Polar Surface Area: 108 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 556.7±5.0 cm3

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