ChemSpider 2D Image | (1R,5S,21S,24S)-7-Cyclopentyl-24-hydroxy-15-phenyl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.0~5,10~.0~12,17~]pentacosa-12,14,16-triene-4,11-dione | C31H39N3O5

(1R,5S,21S,24S)-7-Cyclopentyl-24-hydroxy-15-phenyl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione

  • Molecular FormulaC31H39N3O5
  • Average mass533.659 Da
  • Monoisotopic mass533.289001 Da
  • ChemSpider ID65259748

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,5S,21S,24S)-7-Cyclopentyl-24-hydroxy-15-phenyl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-4,11-dion [German] [ACD/IUPAC Name]
(1R,5S,21S,24S)-7-Cyclopentyl-24-hydroxy-15-phenyl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione [ACD/IUPAC Name]
(1R,5S,21S,24S)-7-Cyclopentyl-24-hydroxy-15-phényl-18,25-dioxa-3,7,10-triazatétracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triène-4,11-dione [French] [ACD/IUPAC Name]
14,18-Epoxy-2H,6H-pyrazino[2,1-l][1,10,13]benzoxadiazacyclohexadecine-6,21(12H)-dione, 2-cyclopentyl-1,3,4,13,14,15,16,17,18,19,20,21a-dodecahydro-17-hydroxy-9-phenyl-, (14S,17S,18R,21aS)- [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: 802.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 438.8±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.82
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 29.27
ACD/KOC (pH 7.4): 337.29
Polar Surface Area: 91 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 408.9±5.0 cm3

Click to predict properties on the Chemicalize site


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