ChemSpider 2D Image | [(1S,12S,13R,16S,17R,18R)-16,20-Dimethyl-20-oxido-15-oxa-3,20-diazapentacyclo[10.7.1.0~2,10~.0~4,9~.0~13,18~]icosa-2,4,6,8,10-pentaen-17-yl]methanol | C20H24N2O3

[(1S,12S,13R,16S,17R,18R)-16,20-Dimethyl-20-oxido-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2,4,6,8,10-pentaen-17-yl]methanol

  • Molecular FormulaC20H24N2O3
  • Average mass340.416 Da
  • Monoisotopic mass340.178680 Da
  • ChemSpider ID29415422

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

[(1S,12S,13R,16S,17R,18R)-16,20-Dimethyl-20-oxido-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2,4,6,8,10-pentaen-17-yl]methanol [German] [ACD/IUPAC Name]
[(1S,12S,13R,16S,17R,18R)-16,20-Dimethyl-20-oxido-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2,4,6,8,10-pentaen-17-yl]methanol [ACD/IUPAC Name]
[(1S,12S,13R,16S,17R,18R)-16,20-Diméthyl-20-oxydo-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2,4,6,8,10-pentaén-17-yl]méthanol [French] [ACD/IUPAC Name]
6,13-Iminopyrano[3',4':5,6]cyclooct[1,2-b]indole-4-methanol, 1,3,4,4a,5,6,13,13a-octahydro-3,14-dimethyl-, 14-oxide, (3S,4R,4aR,6S,13S,13aR)- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.20
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 40.50
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.32
ACD/KOC (pH 7.4): 42.47
Polar Surface Area: 59 Å2
Polarizability:
Surface Tension:
Molar Volume:

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