ChemSpider 2D Image | (18'R,19a'S)-1-(3,3-Dimethylbutanoyl)-18'-(tetrahydro-2H-pyran-4-ylamino)octahydro-2'H,9'H-spiro[piperidine-4,12'-pyrido[2,1-i][1,4,7,10,14]dioxatriazacyclohexadecine]-1',10',14'(11'H,13'H,16'H)-trion e | C30H51N5O7

(18'R,19a'S)-1-(3,3-Dimethylbutanoyl)-18'-(tetrahydro-2H-pyran-4-ylamino)octahydro-2'H,9'H-spiro[piperidine-4,12'-pyrido[2,1-i][1,4,7,10,14]dioxatriazacyclohexadecine]-1',10',14'(11'H,13'H,16'H)-trion e

  • Molecular FormulaC30H51N5O7
  • Average mass593.755 Da
  • Monoisotopic mass593.378845 Da
  • ChemSpider ID84488004

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(18'R,19a'S)-1-(3,3-Dimethylbutanoyl)-18'-(tetrahydro-2H-pyran-4-ylamino)octahydro-2'H,9'H-spiro[piperidine-4,12'-pyrido[2,1-i][1,4,7,10,14]dioxatriazacyclohexadecine]-1',10',14'(11'H,13'H,16'H)-trion e [ACD/IUPAC Name]
Spiro[piperidine-4,12'(9'H)-[2H]pyrido[2,1-i][1,4,7,10,14]dioxatriazacyclohexadecine]-1',10',14'(11'H,13'H,16'H)-trione, 1-(3,3-dimethyl-1-oxobutyl)octahydro-18'-[(tetrahydro-2H-pyran-4-yl)amino]-, (1 8'R,19a'S)- [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: 875.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.3±3.0 kJ/mol
Flash Point: 483.4±34.3 °C
Index of Refraction: 1.559
Molar Refractivity: 157.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.60
ACD/LogD (pH 5.5): -3.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 486.7±5.0 cm3

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