ChemSpider 2D Image | 2-Methyl-2-propanyl (4Z)-2-methyl-12-(3-methyl-2-butanyl)-10,15-dioxo-3,6,10,11,12,13,14,15-octahydro-1'H,2H-spiro[7,1,2,11,14-benzoxathiatriazacycloheptadecine-9,4'-piperidine]-1'-carboxylate 1,1-dio xide | C31H48N4O7S

2-Methyl-2-propanyl (4Z)-2-methyl-12-(3-methyl-2-butanyl)-10,15-dioxo-3,6,10,11,12,13,14,15-octahydro-1'H,2H-spiro[7,1,2,11,14-benzoxathiatriazacycloheptadecine-9,4'-piperidine]-1'-carboxylate 1,1-dio xide

  • Molecular FormulaC31H48N4O7S
  • Average mass620.800 Da
  • Monoisotopic mass620.324341 Da
  • ChemSpider ID107391330

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z) 1,1-Dioxyde de 2-méthyl-12-(3-méthyl-2-butanyl)-10,15-dioxo-3,6,10,11,12,13,14,15-octahydro-1'H,2H-spiro[7,1,2,11,14-benzoxathiatriazacycloheptadecine-9,4'-piperidine]-1'-carboxylate de 2-méthyl- 2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (4Z)-2-methyl-12-(3-methyl-2-butanyl)-10,15-dioxo-3,6,10,11,12,13,14,15-octahydro-1'H,2H-spiro[7,1,2,11,14-benzoxathiatriazacycloheptadecine-9,4'-piperidine]-1'-carboxylate 1,1-dio xide [ACD/IUPAC Name]
2-Methyl-2-propanyl-(4Z)-2-methyl-12-(3-methyl-2-butanyl)-10,15-dioxo-3,6,10,11,12,13,14,15-octahydro-1'H,2H-spiro[7,1,2,11,14-benzoxathiatriazacycloheptadecine-9,4'-piperidine]-1'-carboxylat-1,1-diox id [German] [ACD/IUPAC Name]
Spiro[2H-7,1,2,11,14-benzoxathiatriazacycloheptadecine-9(8H),4'-piperidine]-1'-carboxylic acid, 12-(1,2-dimethylpropyl)-3,6,10,11,12,13,14,15-octahydro-2-methyl-10,15-dioxo-, 1,1-dimethylethyl ester, 1,1-dioxide, (4Z)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.573
Molar Refractivity: 166.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 183.50
ACD/KOC (pH 5.5): 1451.84
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 183.50
ACD/KOC (pH 7.4): 1451.84
Polar Surface Area: 143 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 503.7±5.0 cm3

Click to predict properties on the Chemicalize site


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