3,3'-DITHIODIPROPIONIC ACID DI(N-SUCCINIMIDYL ESTER)CAS57757-57-0

Details:

Density 1.6± 0.1g /cm3

Boiling point 560.1±60.0 °C at 760 mmHg

Melting point 128-133 °C

Molecular formula C14H16N2O8S2

Molecular weight 404.415

Flash point 292.6±32.9 °C

Accurate mass 404.034790

PSA 177.96000

LogP minus 1.66

Appearance character powder

Vapor pressure 0.0±1.5 mmHg at 25°C

Refractive index 1.625

Storage condition

Room temperature, 2-8°C, airtight, light free, ventilated and dry place

 

stability

Stable at normal temperature and pressure, avoid contact with chloroform

 

Water-soluble chloroform: 50 mg/mL

Molecular structure

1. Molar refractive index: 90.76

 

2, molar volume (m3/mol) : 256.8

 

3. Isotropic specific volume (90.2K) : 760.9

 

4. Surface tension (dyne/cm) : 77.1

 

5. Polarization (10-24cm3) : 35.98

 

Computational chemistry

1. Reference value for calculating hydrophobic parameters (XlogP) :-1.2

 

2. Number of hydrogen bond donors :0

 

3. Number of hydrogen bond receptors :10

 

4. Number of rotatable bonds :11

 

5. Number of tautomers :6

 

6. Topological molecular polar surface area 178

 

7. Number of heavy atoms :26

 

8. Surface charge :0

 

9. Complexity :552

 

10. Number of isotope atoms :0

 

11. Determine the number of primary constitutive centers :0

 

12. Number of indeterminate atomic orthotropic centers :0

 

13. Determine the number of chemical bond constitutive centers :0

 

14. Number of uncertain bond constitutive centers :0

 

15. Number of covalent bond units :1

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