ChemSpider 2D Image | N-[(3S,6R,12R,15S)-12-Benzyl-15-isobutyl-6-methyl-4,7,10,13-tetraoxo-17-oxa-5,8,11,14-tetraazaspiro[bicyclo[16.2.2]docosane-9,1'-cyclopropane]-1(20),18,21-trien-3-yl]-3-cyclopropyl-1,2-oxazolidine-5-c arboxamide | C38H50N6O7

N-[(3S,6R,12R,15S)-12-Benzyl-15-isobutyl-6-methyl-4,7,10,13-tetraoxo-17-oxa-5,8,11,14-tetraazaspiro[bicyclo[16.2.2]docosane-9,1'-cyclopropane]-1(20),18,21-trien-3-yl]-3-cyclopropyl-1,2-oxazolidine-5-c arboxamide

  • Molecular FormulaC38H50N6O7
  • Average mass702.840 Da
  • Monoisotopic mass702.374084 Da
  • ChemSpider ID111316799

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

5-Isoxazolidinecarboxamide, 3-cyclopropyl-N-[(4'S,7'R,13'R,16'S)-13'-methyl-4'-(2-methylpropyl)-6',9',12',15'-tetraoxo-7'-(phenylmethyl)spiro[cyclopropane-1,10'-[2]oxa[5,8,11,14]tetraazabicyclo[16.2.2 ]docosa[18,20,21]trien]-16'-yl]- [ACD/Index Name]
N-[(3S,6R,12R,15S)-12-Benzyl-15-isobutyl-6-methyl-4,7,10,13-tetraoxo-17-oxa-5,8,11,14-tetraazaspiro[bicyclo[16.2.2]docosane-9,1'-cyclopropane]-1(20),18,21-trien-3-yl]-3-cyclopropyl-1,2-oxazolidine-5-c arboxamide [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 189.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.24
ACD/KOC (pH 5.5): 491.92
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 43.17
ACD/KOC (pH 7.4): 514.86
Polar Surface Area: 176 Å2
Polarizability: 75.1±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 541.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement