ChemSpider 2D Image | (10'E,14'E,16'E)-6-Ethyl-24'-hydroxy-5,11',13',22'-tetramethyl-2',21'-dioxo-3,4,5,6-tetrahydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20,24~]pentacosa[10,14,16,22]tetraen]-12'-yl for mate | C33H44O9

(10'E,14'E,16'E)-6-Ethyl-24'-hydroxy-5,11',13',22'-tetramethyl-2',21'-dioxo-3,4,5,6-tetrahydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24]pentacosa[10,14,16,22]tetraen]-12'-yl for mate

  • Molecular FormulaC33H44O9
  • Average mass584.697 Da
  • Monoisotopic mass584.298523 Da
  • ChemSpider ID9289703

  • Double-bond stereo - Double-bond stereo

More details:

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

(10'E,14'E,16'E)-6-Ethyl-24'-hydroxy-5,11',13',22'-tetramethyl-2',21'-dioxo-3,4,5,6-tetrahydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24]pentacosa[10,14,16,22]tetraen]-12'-yl for mate [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: 765.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.2±6.0 kJ/mol
Flash Point: 242.3±26.4 °C
Index of Refraction: 1.571
Molar Refractivity: 154.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2302.62
ACD/KOC (pH 5.5): 8877.18
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2302.55
ACD/KOC (pH 7.4): 8876.90
Polar Surface Area: 118 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 469.8±5.0 cm3

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