ChemSpider 2D Image | (1S,2Z,5S,6R,10S,14R)-5-Hydroxy-10-(hydroxymethyl)-3-isopropyl-6,14-dimethyl-15-oxabicyclo[12.1.0]pentadec-2-ene-4,9-dione | C20H32O5

(1S,2Z,5S,6R,10S,14R)-5-Hydroxy-10-(hydroxymethyl)-3-isopropyl-6,14-dimethyl-15-oxabicyclo[12.1.0]pentadec-2-ene-4,9-dione

  • Molecular FormulaC20H32O5
  • Average mass352.465 Da
  • Monoisotopic mass352.224976 Da
  • ChemSpider ID57641915
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(1S,2Z,5S,6R,10S,14R)-5-Hydroxy-10-(hydroxymethyl)-3-isopropyl-6,14-dimethyl-15-oxabicyclo[12.1.0]pentadec-2-en-4,9-dion [German] [ACD/IUPAC Name]
(1S,2Z,5S,6R,10S,14R)-5-Hydroxy-10-(hydroxymethyl)-3-isopropyl-6,14-dimethyl-15-oxabicyclo[12.1.0]pentadec-2-ene-4,9-dione [ACD/IUPAC Name]
(1S,2Z,5S,6R,10S,14R)-5-Hydroxy-10-(hydroxyméthyl)-3-isopropyl-6,14-diméthyl-15-oxabicyclo[12.1.0]pentadéc-2-ène-4,9-dione [French] [ACD/IUPAC Name]
15-Oxabicyclo[12.1.0]pentadec-2-ene-4,9-dione, 5-hydroxy-10-(hydroxymethyl)-6,14-dimethyl-3-(1-methylethyl)-, (1S,2Z,5S,6R,10S,14R)- [ACD/Index Name]
7,8-dihydroflabellatene B
745819-67-4 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 527.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.2±6.0 kJ/mol
Flash Point: 180.8±23.6 °C
Index of Refraction: 1.497
Molar Refractivity: 95.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.69
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.73
ACD/KOC (pH 5.5): 150.44
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.73
ACD/KOC (pH 7.4): 150.44
Polar Surface Area: 87 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 324.9±3.0 cm3

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