n-acetyl-dl-penicillamine n-acetyl-dl-penicillamine
structural formula
| business number | 01ak |
|---|---|
| molecular formula | c7h13no3s |
| molecular weight | 191.25 |
| label |
n-acetyl-3-mercapto-d-valine, n-acetyl-3-mercapto-dl-valine |
numbering system
cas number:59-53-0
mdl number:mfcd00004855
einecs number:200-434-2
rtecs number:yv9380000
brn number:2327356
pubchem id:none
physical property data
1. properties: crystalline, easy to deliquesce.
2. density (g/ml, 25/4℃): undetermined
3. relative vapor density (g/ml, air=1): undetermined
4. melting point (ºc): 185-190
5. boiling point (ºc, normal pressure): undetermined
6. boiling point (ºc, 5.2kpa): undetermined
7. refractive index: undetermined
8. flash point (ºc): undetermined
9. specific rotation (º): undetermined determined
10. autoignition point or ignition temperature (ºc): not determined
11. vapor pressure (kpa, 25ºc): not determined
12. saturated vapor pressure (kpa, 60ºc): undetermined
13. heat of combustion (kj/mol): undetermined
14. critical temperature (ºc): undetermined
15. critical pressure (kpa): undetermined
16. log value of oil-water (octanol/water) partition coefficient: undetermined
17. explosion upper limit ( %, v/v): undetermined
18. lower explosion limit (%, v/v): undetermined
19. solubility: soluble in water.
toxicological data
1. acute toxicity: rat oral ld50: >956mg/kg; mouse intraperitoneal ld50: 400mg/kg
ecological data
none yet
molecular structure data
1. molar refractive index: 47.48
2. molar volume (cm3/mol): 159.1
3. isotonic specific volume (90.2k ): 409.8
4. surface tension (dyne/cm): 43.9
5. polarizability (10-24cm3): 18.82
compute chemical data
1. reference value for calculation of hydrophobic parameters (xlogp): 0.7
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
p>
4. number of rotatable chemical bonds: 2
5. number of tautomers: 2
6. topological molecular polar surface area (tpsa): 69.2
7. number of heavy atoms: 12
8. surface charge: -1
9. complexity: 197
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 1
12. the number of uncertain atomic stereocenters: 0
13. the number of determined chemical bond stereocenters: 0
14. the number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none yet
storage method
seal with argon and store in a dry place at 4℃
synthesis method
none yet
purpose
biochemical research.