ChemSpider 2D Image | (1R,5S,8S,20S,23S)-23-Hydroxy-6-(1-methyl-4-piperidinyl)-14-(4-pyridinyl)-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.1~5,8~.0~11,16~]pentacosa-11,13,15-triene-4,10-dione | C31H41N5O5

(1R,5S,8S,20S,23S)-23-Hydroxy-6-(1-methyl-4-piperidinyl)-14-(4-pyridinyl)-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triene-4,10-dione

  • Molecular FormulaC31H41N5O5
  • Average mass563.688 Da
  • Monoisotopic mass563.310791 Da
  • ChemSpider ID65061081

  • 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)-23-Hydroxy-6-(1-methyl-4-piperidinyl)-14-(4-pyridinyl)-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)-23-Hydroxy-6-(1-methyl-4-piperidinyl)-14-(4-pyridinyl)-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)-23-Hydroxy-6-(1-méthyl-4-pipéridinyl)-14-(4-pyridinyl)-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, 3,4,5,6,7,8,9,10,13,14,15,16-dodecahydro-7-hydroxy-13-(1-methyl-4-piperidinyl)-20-(4-pyridinyl)-, (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: 852.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.8±3.0 kJ/mol
Flash Point: 469.4±34.3 °C
Index of Refraction: 1.564
Molar Refractivity: 152.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -2.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 469.2±3.0 cm3

Click to predict properties on the Chemicalize site


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