Found 2 results

Search term: VTNKIOPLJCPQRL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,12S,13R)-12-Hydroxy-5-methoxy-12-(2-methoxyphenyl)-6-methyl-16-oxa-7-azatetracyclo[11.2.1.0~2,11~.0~3,8~]hexadeca-2,5,8,10-tetraen-4-one | C23H23NO5

(1S,12S,13R)-12-Hydroxy-5-methoxy-12-(2-methoxyphenyl)-6-methyl-16-oxa-7-azatetracyclo[11.2.1.02,11.03,8]hexadeca-2,5,8,10-tetraen-4-one

  • Molecular FormulaC23H23NO5
  • Average mass393.432 Da
  • Monoisotopic mass393.157623 Da
  • ChemSpider ID31127907

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,12S,13R)-12-Hydroxy-5-methoxy-12-(2-methoxyphenyl)-6-methyl-16-oxa-7-azatetracyclo[11.2.1.02,11.03,8]hexadeca-2,5,8,10-tetraen-4-on [German] [ACD/IUPAC Name]
(1S,12S,13R)-12-Hydroxy-5-methoxy-12-(2-methoxyphenyl)-6-methyl-16-oxa-7-azatetracyclo[11.2.1.02,11.03,8]hexadeca-2,5,8,10-tetraen-4-one [ACD/IUPAC Name]
(1S,12S,13R)-12-Hydroxy-5-méthoxy-12-(2-méthoxyphényl)-6-méthyl-16-oxa-7-azatétracyclo[11.2.1.02,11.03,8]hexadéca-2,5,8,10-tétraén-4-one [French] [ACD/IUPAC Name]
8,11-Epoxy-1H-cyclohepta[f]quinolin-1-one, 4,7,8,9,10,11-hexahydro-7-hydroxy-2-methoxy-7-(2-methoxyphenyl)-3-methyl-, (7S,8R,11S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 596.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 314.3±30.1 °C
Index of Refraction: 1.664
Molar Refractivity: 106.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 229.13
ACD/KOC (pH 5.5): 1702.00
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 229.13
ACD/KOC (pH 7.4): 1701.99
Polar Surface Area: 77 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 286.2±5.0 cm3

Click to predict properties on the Chemicalize site


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