ChemSpider 2D Image | (5S,7S,10R,11Z,13Z,16R,17Z)-16-Hydroxy-7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.1~2,5~.0~5,10~]tricosa-1,8,11,13,17,21-hexaene-3,23-dione | C25H28O5

(5S,7S,10R,11Z,13Z,16R,17Z)-16-Hydroxy-7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione

  • Molecular FormulaC25H28O5
  • Average mass408.487 Da
  • Monoisotopic mass408.193665 Da
  • ChemSpider ID30659095

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5S,7S,10R,11Z,13Z,16R,17Z)-16-Hydroxy-7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaen-3,23-dion [German] [ACD/IUPAC Name]
(5S,7S,10R,11Z,13Z,16R,17Z)-16-Hydroxy-7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione [ACD/IUPAC Name]
(5S,7S,10R,11Z,13Z,16R,17Z)-16-Hydroxy-7,8,10,12-tétraméthyl-4,20-dioxatétracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaène-3,23-dione [French] [ACD/IUPAC Name]
4,7-Etheno-3,18a-methano-2H,6H-1,5-benzodioxacyclohexadecin-2,19-dione, 9,10,14a,17,18-pentahydro-9-hydroxy-13,14a,16,17-tetramethyl-, (7Z,9R,11Z,13Z,14aR,17S,18aS)- [ACD/Index 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: 653.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±6.0 kJ/mol
Flash Point: 225.1±25.0 °C
Index of Refraction: 1.607
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 242.46
ACD/KOC (pH 5.5): 1772.26
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 242.46
ACD/KOC (pH 7.4): 1772.26
Polar Surface Area: 73 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 327.8±5.0 cm3

Click to predict properties on the Chemicalize site


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