ChemSpider 2D Image | (1R,2S,6S,16R)-16-Methyl-5-oxa-7-azatetracyclo[5.4.3.3~2,6~.0~1,6~]heptadecane-4,11-dione | C16H23NO3

(1R,2S,6S,16R)-16-Methyl-5-oxa-7-azatetracyclo[5.4.3.32,6.01,6]heptadecane-4,11-dione

  • Molecular FormulaC16H23NO3
  • Average mass277.359 Da
  • Monoisotopic mass277.167786 Da
  • ChemSpider ID28286298
  • defined stereocentres - 4 of 4 defined stereocentres


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

(1R,2S,6S,16R)-16-Methyl-5-oxa-7-azatetracyclo[5.4.3.32,6.01,6]heptadecan-4,11-dion [German] [ACD/IUPAC Name]
(1R,2S,6S,16R)-16-Methyl-5-oxa-7-azatetracyclo[5.4.3.32,6.01,6]heptadecane-4,11-dione [ACD/IUPAC Name]
(1R,2S,6S,16R)-16-Méthyl-5-oxa-7-azatétracyclo[5.4.3.32,6.01,6]heptadécane-4,11-dione [French] [ACD/IUPAC Name]
2H-4,9a:4a,9-Dipropanopyrano[2,3-b]azepine-2,5(6H)-dione, tetrahydro-11-methyl-, (4S,4aR,9aS,11R)- [ACD/Index Name]
(-)-lycojapodine A
(5aR,6S,8R,9aS)-8-methylhexahydro-9a,6-(epoxyethano)-1,5a-propano-1-benzazepine-5,11(2H)-dione
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66603
lycojapodine A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 477.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 242.5±28.7 °C
Index of Refraction: 1.567
Molar Refractivity: 73.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 10.45
ACD/KOC (pH 5.5): 171.24
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 14.08
ACD/KOC (pH 7.4): 230.78
Polar Surface Area: 47 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 225.9±5.0 cm3

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