ChemSpider 2D Image | (7R,10S,13S)-1'-(2,3-Dihydro-1-benzofuran-5-ylmethyl)-13-[(1R)-1-hydroxyethyl]-7-isopropyl-10,11-dimethyl-6H,9H,12H,15H-spiro[17-oxa-5,8,11,14-tetraazabicyclo[16.3.1]docosa-1(22),18,20-triene-3,4'-pip eridine]-6,9,12,15-tetrone | C37H51N5O7

(7R,10S,13S)-1'-(2,3-Dihydro-1-benzofuran-5-ylmethyl)-13-[(1R)-1-hydroxyethyl]-7-isopropyl-10,11-dimethyl-6H,9H,12H,15H-spiro[17-oxa-5,8,11,14-tetraazabicyclo[16.3.1]docosa-1(22),18,20-triene-3,4'-pip eridine]-6,9,12,15-tetrone

  • Molecular FormulaC37H51N5O7
  • Average mass677.830 Da
  • Monoisotopic mass677.378845 Da
  • ChemSpider ID62731889

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(7R,10S,13S)-1'-(2,3-Dihydro-1-benzofuran-5-ylmethyl)-13-[(1R)-1-hydroxyethyl]-7-isopropyl-10,11-dimethyl-6H,9H,12H,15H-spiro[17-oxa-5,8,11,14-tetraazabicyclo[16.3.1]docosa-1(22),18,20-triene-3,4'-pip eridine]-6,9,12,15-tetrone [ACD/IUPAC Name]
Spiro[2-oxa-5,8,11,14-tetraazabicyclo[16.3.1]docosa-1(22),18,20-triene-16,4'-piperidine]-4,7,10,13-tetrone, 1'-[(2,3-dihydro-5-benzofuranyl)methyl]-6-[(1R)-1-hydroxyethyl]-8,9-dimethyl-12-(1-methyleth yl)-, (6S,9S,12R)- [ACD/Index Name]
(7R,10S,13S)-1'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-13-[(1R)-1-hydroxyethyl]-7-isopropyl-10,11-dimethyl-6H,9H,12H,15H-spiro[17-oxa-5,8,11,14-tetraazabicyclo[16.3.1]docosa-1(22),18,20-triene-3,4'-piperidine]-6,9,12,15-tetrone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 961.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.6±3.0 kJ/mol
Flash Point: 535.2±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 185.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -1.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.17
Polar Surface Area: 150 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 532.0±5.0 cm3

Click to predict properties on the Chemicalize site


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