Found 3 results

Search term: YMYFLJGPESRVIG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,9S,16S,17R)-1,7,16-Trimethyl-4-azatetracyclo[7.6.2.0~4,17~.0~10,15~]heptadeca-6,10,12,14-tetraen-13-ol | C19H25NO

(1S,9S,16S,17R)-1,7,16-Trimethyl-4-azatetracyclo[7.6.2.04,17.010,15]heptadeca-6,10,12,14-tetraen-13-ol

  • Molecular FormulaC19H25NO
  • Average mass283.408 Da
  • Monoisotopic mass283.193604 Da
  • ChemSpider ID95636771

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,9S,16S,17R)-1,7,16-Trimethyl-4-azatetracyclo[7.6.2.04,17.010,15]heptadeca-6,10,12,14-tetraen-13-ol [German] [ACD/IUPAC Name]
(1S,9S,16S,17R)-1,7,16-Trimethyl-4-azatetracyclo[7.6.2.04,17.010,15]heptadeca-6,10,12,14-tetraen-13-ol [ACD/IUPAC Name]
(1S,9S,16S,17R)-1,7,16-Triméthyl-4-azatétracyclo[7.6.2.04,17.010,15]heptadéca-6,10,12,14-tétraén-13-ol [French] [ACD/IUPAC Name]
5,7-Ethano-5H-naphth[2,1-b]azepin-9-ol, 1,4,5a,6,7,11b-hexahydro-2,6,7-trimethyl-, (5aR,6S,7S,11bS)- [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: 417.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 199.2±27.4 °C
Index of Refraction: 1.618
Molar Refractivity: 85.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 1.14
ACD/KOC (pH 5.5): 6.29
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 46.12
ACD/KOC (pH 7.4): 254.07
Polar Surface Area: 23 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 245.1±5.0 cm3

Click to predict properties on the Chemicalize site


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