Adenosine 5′-diphosphate Adenosine 5′-diphosphate

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.