Adenosine 5′-diphosphate Adenosine 5′-diphosphate
Structural formula
| Business number | 019Q |
|---|---|
| Molecular formula | C10H15N5O10P2 |
| Molecular weight | 427.2 |
| label |
Adenosine 5′-diphosphate, 5′-ADP, Apyrase, Adensine 5′-pyrophosphoric acid, Adenosine 5′-diphosphate acid, Adenosine 5′-(trihydrogendiphosphate) |
Numbering system
CAS number:58-64-0
MDL number:MFCD00066473
EINECS number:200-392-5
RTECS number:AU7467000
BRN number:67722
PubChem number:24845212
Physical property data
1. Properties: white crystal or powder.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): Not determined
5. Boiling point (ºC, normal pressure): Not determined
6. Boiling point (ºC, 5.2kPa): Not determined Determined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturation 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: Easily soluble in water
Toxicological data
1. Acute toxicity: mouse abdominal LD50: 3333mg/kg
2. Mutagenicity: mutation test system – not other specifiedTEST system: human cells – not otherwise specified: 100umol/L
Ecological data
None
Molecular structure data
1. Molar refractive index: 79.85
2. Molar volume (cm3/mol): 171.0
3. Isotonic specific volume (90.2K ): 618.3
4. Surface tension (dyne/cm): 170.8
5. Polarizability (10-24cm3): 31.65
Compute chemical data
1. Reference values for calculating hydrophobic parameters (XlogP): -4.6
2. Number of hydrogen bond donors: 6
3. Number of hydrogen bond acceptors: 14
4. Number of rotatable chemical bonds : 6
5. Number of tautomers: 3
6. Topological molecular polar surface area (TPSA): 233
7. Number of heavy atoms : 27
8. Surface charge: 0
9. Complexity: 638
10. Number of isotope atoms: 0
11 , Determine the number of atomic stereocenters: 4
12. Determine the number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
Seal with argon and store in a dry place below -18℃.
Synthesis method
Prepared from 5′-adenylate.
Purpose
1. Biochemical research.