ChemSpider 2D Image | (11S)-4,9-Dioxo-N-[(2S)-1-oxo-3-phenyl-2-propanyl]-17,22-dioxa-10,30-diazatetracyclo[21.2.2.2~13,16~.1~5,8~]triaconta-1(25),5,7,13,15,23,26,28-octaene-11-carboxamide | C36H37N3O6

(11S)-4,9-Dioxo-N-[(2S)-1-oxo-3-phenyl-2-propanyl]-17,22-dioxa-10,30-diazatetracyclo[21.2.2.213,16.15,8]triaconta-1(25),5,7,13,15,23,26,28-octaene-11-carboxamide

  • Molecular FormulaC36H37N3O6
  • Average mass607.695 Da
  • Monoisotopic mass607.268250 Da
  • ChemSpider ID35035523

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(11S)-4,9-Dioxo-N-[(2S)-1-oxo-3-phenyl-2-propanyl]-17,22-dioxa-10,30-diazatetracyclo[21.2.2.213,16.15,8]triaconta-1(25),5,7,13,15,23,26,28-octaen-11-carboxamid [German] [ACD/IUPAC Name]
(11S)-4,9-Dioxo-N-[(2S)-1-oxo-3-phenyl-2-propanyl]-17,22-dioxa-10,30-diazatetracyclo[21.2.2.213,16.15,8]triaconta-1(25),5,7,13,15,23,26,28-octaene-11-carboxamide [ACD/IUPAC Name]
(11S)-4,9-Dioxo-N-[(2S)-1-oxo-3-phényl-2-propanyl]-17,22-dioxa-10,30-diazatétracyclo[21.2.2.213,16.15,8]triaconta-1(25),5,7,13,15,23,26,28-octaène-11-carboxamide [French] [ACD/IUPAC Name]
(11s)-4,9-Dioxo-N-[(2s)-1-Oxo-3-Phenylpropan-2-Yl]-17,22-Dioxa-10,30-Diazatetracyclo[21.2.2.213,16.15,8]triaconta-1(25),5,7,13,15,23,26,28-Octaene-11-Carboxamide
17,22-Dioxa-10,30-diazatetracyclo[21.2.2.213,16.15,8]triaconta-5,7,13,15,23,25,26,28-octaene-11-carboxamide, N-[(1S)-1-formyl-2-phenylethyl]-4,9-dioxo-, (11S)- [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: 930.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.5±3.0 kJ/mol
Flash Point: 516.8±34.3 °C
Index of Refraction: 1.576
Molar Refractivity: 167.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7200.15
ACD/KOC (pH 5.5): 20075.96
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 7200.13
ACD/KOC (pH 7.4): 20075.89
Polar Surface Area: 127 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 507.4±3.0 cm3

Click to predict properties on the Chemicalize site


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