ChemSpider 2D Image | (1R,4R,5R,8S,9E,12R,13R,16R,17R)-N-Hydroxy-4,5,12,19,19-pentamethyl-23-oxahexacyclo[16.3.2.0~1,17~.0~4,16~.0~5,13~.0~8,12~]tricosan-9-imine | C27H43NO2

(1R,4R,5R,8S,9E,12R,13R,16R,17R)-N-Hydroxy-4,5,12,19,19-pentamethyl-23-oxahexacyclo[16.3.2.01,17.04,16.05,13.08,12]tricosan-9-imine

  • Molecular FormulaC27H43NO2
  • Average mass413.636 Da
  • Monoisotopic mass413.329376 Da
  • ChemSpider ID24742322

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,4R,5R,8S,9E,12R,13R,16R,17R)-N-Hydroxy-4,5,12,19,19-pentamethyl-23-oxahexacyclo[16.3.2.01,17.04,16.05,13.08,12]tricosan-9-imin [German] [ACD/IUPAC Name]
(1R,4R,5R,8S,9E,12R,13R,16R,17R)-N-Hydroxy-4,5,12,19,19-pentamethyl-23-oxahexacyclo[16.3.2.01,17.04,16.05,13.08,12]tricosan-9-imine [ACD/IUPAC Name]
(1R,4R,5R,8S,9E,12R,13R,16R,17R)-N-Hydroxy-4,5,12,19,19-pentaméthyl-23-oxahexacyclo[16.3.2.01,17.04,16.05,13.08,12]tricosan-9-imine [French] [ACD/IUPAC Name]
11,7a-(Epoxymethano)-7aH-cyclopenta[a]chrysen-3(5H)-one, octadecahydro-5a,5b,10,10,13b-pentamethyl-, oxime, (3E,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 515.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 86.2±6.0 kJ/mol
Flash Point: 265.6±30.1 °C
Index of Refraction: 1.647
Molar Refractivity: 118.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 7.11
ACD/LogD (pH 5.5): 6.70
ACD/BCF (pH 5.5): 72477.27
ACD/KOC (pH 5.5): 104836.63
ACD/LogD (pH 7.4): 6.70
ACD/BCF (pH 7.4): 72476.55
ACD/KOC (pH 7.4): 104835.59
Polar Surface Area: 42 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 326.8±7.0 cm3

Click to predict properties on the Chemicalize site


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