ChemSpider 2D Image | (7Z)-14-Oxapentacyclo[21.3.1.1~2,6~.1~9,13~.0~15,20~]nonacosa-1(27),2(29),3,5,7,9(28),10,12,15,17,19,23,25-tridecaene-3,18,19,26-tetrol | C28H22O5

(7Z)-14-Oxapentacyclo[21.3.1.12,6.19,13.015,20]nonacosa-1(27),2(29),3,5,7,9(28),10,12,15,17,19,23,25-tridecaene-3,18,19,26-tetrol

  • Molecular FormulaC28H22O5
  • Average mass438.471 Da
  • Monoisotopic mass438.146729 Da
  • ChemSpider ID24717238

  • Double-bond stereo - Double-bond stereo

More details:

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

(7Z)-14-Oxapentacyclo[21.3.1.12,6.19,13.015,20]nonacosa-1(27),2(29),3,5,7,9(28),10,12,15,17,19,23,25-tridecaen-3,18,19,26-tetrol [German] [ACD/IUPAC Name]
(7Z)-14-Oxapentacyclo[21.3.1.12,6.19,13.015,20]nonacosa-1(27),2(29),3,5,7,9(28),10,12,15,17,19,23,25-tridecaene-3,18,19,26-tetrol [ACD/IUPAC Name]
(7Z)-14-Oxapentacyclo[21.3.1.12,6.19,13.015,20]nonacosa-1(27),2(29),3,5,7,9(28),10,12,15,17,19,23,25-tridécaène-3,18,19,26-tétrol [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517586/
ISOPLAGIOCHIN B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 733.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 397.5±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 125.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 7.67
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13879.77
ACD/KOC (pH 5.5): 32111.38
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13481.67
ACD/KOC (pH 7.4): 31190.37
Polar Surface Area: 90 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 64.6±3.0 dyne/cm
Molar Volume: 327.9±3.0 cm3

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