ChemSpider 2D Image | (4R,8R)-1-Hydroxy-8-[(1E)-3-hydroxy-1-decen-1-yl]-4-methyl-6-oxa-3-azabicyclo[3.2.1]octane-2,7-dione | C17H27NO5

(4R,8R)-1-Hydroxy-8-[(1E)-3-hydroxy-1-decen-1-yl]-4-methyl-6-oxa-3-azabicyclo[3.2.1]octane-2,7-dione

  • Molecular FormulaC17H27NO5
  • Average mass325.400 Da
  • Monoisotopic mass325.188934 Da
  • ChemSpider ID28283653

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 5 defined stereocentres

More details:

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(4R,8R)-1-Hydroxy-8-[(1E)-3-hydroxy-1-decen-1-yl]-4-methyl-6-oxa-3-azabicyclo[3.2.1]octan-2,7-dion [German] [ACD/IUPAC Name]
(4R,8R)-1-Hydroxy-8-[(1E)-3-hydroxy-1-decen-1-yl]-4-methyl-6-oxa-3-azabicyclo[3.2.1]octane-2,7-dione [ACD/IUPAC Name]
(4R,8R)-1-Hydroxy-8-[(1E)-3-hydroxy-1-décén-1-yl]-4-méthyl-6-oxa-3-azabicyclo[3.2.1]octane-2,7-dione [French] [ACD/IUPAC Name]
6-Oxa-3-azabicyclo[3.2.1]octane-2,7-dione, 1-hydroxy-8-[(1E)-3-hydroxy-1-decen-1-yl]-4-methyl-, (4R,8R)- [ACD/Index Name]
Awajanomycin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 536.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.5±6.0 kJ/mol
Flash Point: 278.3±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 86.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.73
ACD/KOC (pH 5.5): 89.26
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.72
ACD/KOC (pH 7.4): 89.19
Polar Surface Area: 96 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 264.1±3.0 cm3

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