ChemSpider 2D Image | (1aS,4Z,6S,7aR,8S,10aR,10bS)-6-Hydroxy-1a,5-dimethyl-8-(4-morpholinylmethyl)-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one | C19H29NO5

(1aS,4Z,6S,7aR,8S,10aR,10bS)-6-Hydroxy-1a,5-dimethyl-8-(4-morpholinylmethyl)-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one

  • Molecular FormulaC19H29NO5
  • Average mass351.437 Da
  • Monoisotopic mass351.204559 Da
  • ChemSpider ID30656816

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1aS,4Z,6S,7aR,8S,10aR,10bS)-6-Hydroxy-1a,5-dimethyl-8-(4-morpholinylmethyl)-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-on [German] [ACD/IUPAC Name]
(1aS,4Z,6S,7aR,8S,10aR,10bS)-6-Hydroxy-1a,5-dimethyl-8-(4-morpholinylmethyl)-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one [ACD/IUPAC Name]
(1aS,4Z,6S,7aR,8S,10aR,10bS)-6-Hydroxy-1a,5-diméthyl-8-(4-morpholinylméthyl)-2,3,6,7,7a,8,10a,10b-octahydrooxiréno[9,10]cyclodéca[1,2-b]furan-9(1aH)-one [French] [ACD/IUPAC Name]
Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-6-hydroxy-1a,5-dimethyl-8-(4-morpholinylmethyl)-, (1aS,4Z,6S,7aR,8S,10aR,10bS)- [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: 531.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.8±6.0 kJ/mol
Flash Point: 275.1±30.1 °C
Index of Refraction: 1.535
Molar Refractivity: 91.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.42
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.84
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 35.87
Polar Surface Area: 72 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 294.2±3.0 cm3

Click to predict properties on the Chemicalize site


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