ChemSpider 2D Image | (4R,9Z,14Z,16Z,20S)-20-Hydroxy-7-isopropyl-4,8,16-trimethyl-6,23-dioxa-3,12,25-triazabicyclo[20.2.1]pentacosa-1(24),9,14,16,22(25)-pentaene-2,5,11-trione | C26H37N3O6

(4R,9Z,14Z,16Z,20S)-20-Hydroxy-7-isopropyl-4,8,16-trimethyl-6,23-dioxa-3,12,25-triazabicyclo[20.2.1]pentacosa-1(24),9,14,16,22(25)-pentaene-2,5,11-trione

  • Molecular FormulaC26H37N3O6
  • Average mass487.589 Da
  • Monoisotopic mass487.268250 Da
  • ChemSpider ID95504733

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(4R,9Z,14Z,16Z,20S)-20-Hydroxy-7-isopropyl-4,8,16-trimethyl-6,23-dioxa-3,12,25-triazabicyclo[20.2.1]pentacosa-1(24),9,14,16,22(25)-pentaen-2,5,11-trion [German] [ACD/IUPAC Name]
(4R,9Z,14Z,16Z,20S)-20-Hydroxy-7-isopropyl-4,8,16-trimethyl-6,23-dioxa-3,12,25-triazabicyclo[20.2.1]pentacosa-1(24),9,14,16,22(25)-pentaene-2,5,11-trione [ACD/IUPAC Name]
(4R,9Z,14Z,16Z,20S)-20-Hydroxy-7-isopropyl-4,8,16-triméthyl-6,23-dioxa-3,12,25-triazabicyclo[20.2.1]pentacosa-1(24),9,14,16,22(25)-pentaène-2,5,11-trione [French] [ACD/IUPAC Name]
6,23-Dioxa-3,12,25-triazabicyclo[20.2.1]pentacosa-9,14,16,22(25),24-pentaene-2,5,11-trione, 20-hydroxy-4,8,16-trimethyl-7-(1-methylethyl)-, (4R,9Z,14Z,16Z,20S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 776.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 423.1±32.9 °C
Index of Refraction: 1.484
Molar Refractivity: 130.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.77
ACD/KOC (pH 5.5): 90.00
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.77
ACD/KOC (pH 7.4): 90.00
Polar Surface Area: 131 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 455.6±3.0 cm3

Click to predict properties on the Chemicalize site


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