Found 1 result

Search term: 144096-48-0 (Found by approved synonym)
ChemSpider 2D Image | Agistatin E | C11H16O5

Agistatin E

  • Molecular FormulaC11H16O5
  • Average mass228.242 Da
  • Monoisotopic mass228.099777 Da
  • ChemSpider ID81407830

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,3R,6R,7S,8R)-6-Ethyl-3,8-dihydroxy-2,11-dioxatricyclo[5.3.1.03,8]undecan-9-on [German] [ACD/IUPAC Name]
(1S,3R,6R,7S,8R)-6-Ethyl-3,8-dihydroxy-2,11-dioxatricyclo[5.3.1.03,8]undecan-9-one [ACD/IUPAC Name]
(1S,3R,6R,7S,8R)-6-Éthyl-3,8-dihydroxy-2,11-dioxatricyclo[5.3.1.03,8]undécan-9-one [French] [ACD/IUPAC Name]
144096-48-0 [RN]
2,5-Epoxy-4H-1-benzopyran-4-one, 8-ethyloctahydro-4a,5-dihydroxy-, (2S,4aR,5R,8R,8aS)- [ACD/Index Name]
Agistatin E

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

Density: 1.5±0.1 g/cm3
Boiling Point: 382.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.9±6.0 kJ/mol
Flash Point: 150.3±21.4 °C
Index of Refraction: 1.595
Molar Refractivity: 53.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 4.96
ACD/KOC (pH 5.5): 109.45
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.95
ACD/KOC (pH 7.4): 109.40
Polar Surface Area: 76 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 66.8±3.0 dyne/cm
Molar Volume: 156.8±3.0 cm3

Click to predict properties on the Chemicalize site


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