AC-YVAD-AMC CAS149231-65-2

Details:

Density 1.3± 0.1g /cm3
Boiling point 1127.3±65.0 °C at 760 mmHg
Molecular formula C33H39N5O10
Molecular weight 665.690
Flash point 635.6±34.3 °C
Accurate mass 665.269714
PSA 233.24000
LogP 2.58
Appearance properties white powder
Vapor pressure 0.0±0.3 mmHg at 25°C
Refractive index 1.605
Storage condition
Storage method: -20 °C

DMSO: 10 mM The solution is stable in the dark at −20 °C for more than 1 month if no water is present. Dmso: 10 mm The solution is stable in the dark at −20 °C for more than 1 month if no water is present.
Molecular structure
1. Molar refractive index: 170.46

2, molar volume (cm3/mol) : 495.1

3. Isotropic volume (90.2K) : 1389.6

4. Surface tension (dyne/cm) : 62

5. Dielectric constant: unavailable

6. Polarization (10-24cm3) : 67.57

7. Single isotope mass: 665.269692 Da

8. Nominal quality: 665 Da

9. Average quality: 665.6903 Da

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :1.3

2. Number of hydrogen bond donors :7

3. Number of hydrogen bond receptors :10

4. Number of rotatable bonds :14

5. Number of tautomers :640

6. Topological molecular polar surface area 229

7. Number of heavy atoms :48

8. Surface charge :0

9. Complexity :1260

10. Number of isotope atoms :0

11. Determine the number of primary constitutive centers :0

12. Number of uncertain atomic orthotropic centers :4

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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