ChemSpider 2D Image | (1aS,4Z,6S,7aR,8S,10aR,10bS)-6-Hydroxy-1a,5-dimethyl-8-(1-pyrrolidinylmethyl)-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one | C19H29NO4

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

  • Molecular FormulaC19H29NO4
  • Average mass335.438 Da
  • Monoisotopic mass335.209656 Da
  • ChemSpider ID30656993

  • 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-(1-pyrrolidinylmethyl)-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-(1-pyrrolidinylmethyl)-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-(1-pyrrolidinylméthyl)-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-(1-pyrrolidinylmethyl)-, (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: 508.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.6±6.0 kJ/mol
Flash Point: 261.0±30.1 °C
Index of Refraction: 1.543
Molar Refractivity: 90.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.67
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 62 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 285.4±3.0 cm3

Click to predict properties on the Chemicalize site


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