ChemSpider 2D Image | (1R,5S,8S,20S,23S)-14-Cyclopentyl-23-hydroxy-6-(tetrahydro-2H-pyran-4-yl)-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.1~5,8~.0~11,16~]pentacosa-11,13,15-triene-4,10-dione | C30H43N3O6

(1R,5S,8S,20S,23S)-14-Cyclopentyl-23-hydroxy-6-(tetrahydro-2H-pyran-4-yl)-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triene-4,10-dione

  • Molecular FormulaC30H43N3O6
  • Average mass541.679 Da
  • Monoisotopic mass541.315186 Da
  • ChemSpider ID65061044

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,5S,8S,20S,23S)-14-Cyclopentyl-23-hydroxy-6-(tetrahydro-2H-pyran-4-yl)-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-trien-4,10-dion [German] [ACD/IUPAC Name]
(1R,5S,8S,20S,23S)-14-Cyclopentyl-23-hydroxy-6-(tetrahydro-2H-pyran-4-yl)-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triene-4,10-dione [ACD/IUPAC Name]
(1R,5S,8S,20S,23S)-14-Cyclopentyl-23-hydroxy-6-(tétrahydro-2H-pyran-4-yl)-17,24-dioxa-3,6,9-triazatétracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triène-4,10-dione [French] [ACD/IUPAC Name]
4,8-Epoxy-12,15-methano-1,10,13,16-benzoxatriazacyclononadecine-11,17(2H,12H)-dione, 20-cyclopentyl-3,4,5,6,7,8,9,10,13,14,15,16-dodecahydro-7-hydroxy-13-(tetrahydro-2H-pyran-4-yl)-, (4S,7S,8R,12S,15S )- [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: 828.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.2±3.0 kJ/mol
Flash Point: 454.9±34.3 °C
Index of Refraction: 1.549
Molar Refractivity: 144.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.27
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 14.30
ACD/KOC (pH 7.4): 162.32
Polar Surface Area: 109 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 454.2±3.0 cm3

Click to predict properties on the Chemicalize site


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