ChemSpider 2D Image | 2,2',2'',2'''-{(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis[(6-hydroxy-5-isopropyl-2-methyl-3,1-phenylene)methylenenitrilo]}tetraacetate | C37H40N2O13S

2,2',2'',2'''-{(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis[(6-hydroxy-5-isopropyl-2-methyl-3,1-phenylene)methylenenitrilo]}tetraacetate

  • Molecular FormulaC37H40N2O13S
  • Average mass752.786 Da
  • Monoisotopic mass752.227295 Da
  • ChemSpider ID95627960

  • Charge - Charge

More details:

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

2,2',2'',2'''-{(1,1-Dioxido-3H-2,1-benzoxathiol-3,3-diyl)bis[(6-hydroxy-5-isopropyl-2-methyl-3,1-phenylen)methylennitrilo]}tetraacetat [German] [ACD/IUPAC Name]
2,2',2'',2'''-{(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis[(6-hydroxy-5-isopropyl-2-methyl-3,1-phenylene)methylenenitrilo]}tetraacetate [ACD/IUPAC Name]
2,2',2'',2'''-{(1,1-Dioxydo-3H-2,1-benzoxathiole-3,3-diyl)bis[(6-hydroxy-5-isopropyl-2-méthyl-3,1-phénylène)méthylènenitrilo]}tetraacétate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 891.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.8±3.0 kJ/mol
Flash Point: 493.0±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 4
ACD/LogP: 5.20
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 259 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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