ChemSpider 2D Image | N-[(10R,13S,16S)-10-Benzyl-13-methyl-6,9,12,15-tetraoxo-2-oxa-5,8,11,14-tetraazaspiro[bicyclo[16.2.2]docosane-7,1'-cyclopropane]-1(20),18,21-trien-16-yl]-5-oxo-D-prolinamide | C32H38N6O7

N-[(10R,13S,16S)-10-Benzyl-13-methyl-6,9,12,15-tetraoxo-2-oxa-5,8,11,14-tetraazaspiro[bicyclo[16.2.2]docosane-7,1'-cyclopropane]-1(20),18,21-trien-16-yl]-5-oxo-D-prolinamide

  • Molecular FormulaC32H38N6O7
  • Average mass618.680 Da
  • Monoisotopic mass618.280212 Da
  • ChemSpider ID77498036

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Pyrrolidinecarboxamide, N-[(10'R,13'S,16'S)-13'-methyl-6',9',12',15'-tetraoxo-10'-(phenylmethyl)spiro[cyclopropane-1,7'-[2]oxa[5,8,11,14]tetraazabicyclo[16.2.2]docosa[18,20,21]trien]-16'-yl]-5-oxo-, (2R)- [ACD/Index Name]
N-[(10R,13S,16S)-10-Benzyl-13-methyl-6,9,12,15-tetraoxo-2-oxa-5,8,11,14-tetraazaspiro[bicyclo[16.2.2]docosane-7,1'-cyclopropane]-1(20),18,21-trien-16-yl]-5-oxo-D-prolinamide [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1143.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 169.1±3.0 kJ/mol
Flash Point: 645.1±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 162.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -0.65
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.03
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.03
Polar Surface Area: 184 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 452.3±5.0 cm3

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