ChemSpider 2D Image | (15R,16S)-13-(L-Alanyl)-5,5,9,15,16-pentamethyl-7-oxo-2,13,17-triazatetracyclo[16.3.1.0~2,10~.0~3,8~]docosa-1(22),3(8),9,18,20-pentaene-19-carboxamide | C28H39N5O3

(15R,16S)-13-(L-Alanyl)-5,5,9,15,16-pentamethyl-7-oxo-2,13,17-triazatetracyclo[16.3.1.02,10.03,8]docosa-1(22),3(8),9,18,20-pentaene-19-carboxamide

  • Molecular FormulaC28H39N5O3
  • Average mass493.641 Da
  • Monoisotopic mass493.305298 Da
  • ChemSpider ID26325228

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(15R,16S)-13-(L-Alanyl)-5,5,9,15,16-pentamethyl-7-oxo-2,13,17-triazatetracyclo[16.3.1.02,10.03,8]docosa-1(22),3(8),9,18,20-pentaen-19-carboxamid [German] [ACD/IUPAC Name]
(15R,16S)-13-(L-Alanyl)-5,5,9,15,16-pentamethyl-7-oxo-2,13,17-triazatetracyclo[16.3.1.02,10.03,8]docosa-1(22),3(8),9,18,20-pentaene-19-carboxamide [ACD/IUPAC Name]
(15R,16S)-13-(L-Alanyl)-5,5,9,15,16-pentaméthyl-7-oxo-2,13,17-triazatétracyclo[16.3.1.02,10.03,8]docosa-1(22),3(8),9,18,20-pentaène-19-carboxamide [French] [ACD/IUPAC Name]
(5r,6s)-3-(L-Alanyl)-5,6,15,15,18-Pentamethyl-17-Oxo-2,3,4,5,6,7,14,15,16,17-Decahydro-1h-12,8-(Metheno)[1,5,9]triazacyclotetradecino[1,2-A]indole-9-Carboxamide
1H-8,12-Metheno[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamide, 3-[(2S)-2-amino-1-oxopropyl]-2,3,4,5,6,7,14,15,16,17-decahydro-5,6,15,15,18-pentamethyl-17-oxo-, (5R,6S)- [ACD/Index Name]
06T

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

Density: 1.3±0.1 g/cm3
Boiling Point: 714.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.9±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 138.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.69
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 22.83
ACD/KOC (pH 7.4): 169.08
Polar Surface Area: 123 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 380.6±7.0 cm3

Click to predict properties on the Chemicalize site


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