ChemSpider 2D Image | GKK1032B | C32H39NO4

GKK1032B

  • Molecular FormulaC32H39NO4
  • Average mass501.656 Da
  • Monoisotopic mass501.287903 Da
  • ChemSpider ID73980835

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3S,4R,5S,7R,9S,10S,13S,14R,16R,20S,27S)-5,7,9,11,13-Pentamethyl-13-vinyl-2-oxa-18-azahexacyclo[20.2.2.13,10.04,9.014,27.016,20]heptacosa-1(24),11,22,25-tetraen-15,17,19-trion [German] [ACD/IUPAC Name]
(3S,4R,5S,7R,9S,10S,13S,14R,16R,20S,27S)-5,7,9,11,13-Pentamethyl-13-vinyl-2-oxa-18-azahexacyclo[20.2.2.13,10.04,9.014,27.016,20]heptacosa-1(24),11,22,25-tetraene-15,17,19-trione [ACD/IUPAC Name]
(3S,4R,5S,7R,9S,10S,13S,14R,16R,20S,27S)-5,7,9,11,13-Pentaméthyl-13-vinyl-2-oxa-18-azahexacyclo[20.2.2.13,10.04,9.014,27.016,20]heptacosa-1(24),11,22,25-tétraène-15,17,19-trione [French] [ACD/IUPAC Name]
358375-11-8 [RN]
5,8-Ethenofluoreno[9',1':2,3,4]oxacyclododecino[6,7-c]pyrrole-1,3,17(2H,4H,10H)-trione, 16-ethenyl-3a,9a,9b,11,12,13,13a,13b,16,16a,16b,17a-dodecahydro-10,12,13a,14,16-pentamethyl-, (3aS,9aS,9bR,10S,1 2R,13aS,13bS,16S,16aR,16bS,17aR)- [ACD/Index Name]
GKK1032B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 653.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.3±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 143.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 7.78
ACD/LogD (pH 5.5): 7.26
ACD/BCF (pH 5.5): 193094.30
ACD/KOC (pH 5.5): 211395.23
ACD/LogD (pH 7.4): 7.25
ACD/BCF (pH 7.4): 188962.36
ACD/KOC (pH 7.4): 206871.66
Polar Surface Area: 72 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 443.8±3.0 cm3

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