β-biphosphopyridine nucleotide

Structural formula

Business number	0162
Molecular formula	C21H27N7O14P2
Molecular weight	663.43
label	nicotinamide adenine dinucleotide, nicotinamide adenine dinucleotide, Coenzyme I

Numbering system

CAS number:53-84-9

MDL number:MFCD00036253

EINECS number:200-184-4

RTECS number:UU3450000

BRN number:3584133

PubChem number:24897862

Physical property data

1. Character:White powder. Very hygroscopic.

2. Density (g/mL,25/4℃): Undetermined

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC): 266

5. Boiling point (ºC,Normal pressure):524

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º):[α]_D²³－34.8°（C=1, water)

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

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. Oil and water (octanol/Log value of partition coefficient (water): undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility:Soluble in water, insoluble in acetone and other organic solvents.

Toxicological data

1, acute toxicity: mouse abdominal cavity LD50: 4333 mg/kg
2, mutagenicity: mutationmicroorganismsTESTSystem: Bacteria–Salmonella typhimurium: 100ug/plate

Ecological data

None

Molecular structure data

None

Compute chemical data

1, Reference value for hydrophobic parameter calculation (XlogP): -6

2. Number of hydrogen bond donors: 7

3. Number of hydrogen bond acceptors: 18

4. Number of rotatable chemical bonds: 11

5. Number of tautomers: 6

6. Topological molecular polar surface area (TPSA):321

7. Number of heavy atoms: 44

8. Surface charge: 0

9. Complexity: 1120

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 8

12. The number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

at260 It has the maximum ultraviolet absorption spectrum at nanometers. Through various deaminase enzymes, it accepts a hydrogen atom and an electron from the substrate and becomes a reduced form. E′0=-0.32V. At this time, the pyridine ring is reduced, and since there is maximum absorption at 340 nanometers, the progress of the reaction can be measured. This reaction can also proceed reversibly. ThereforeNAD+ can be used as a common substrate for various deaminase, but it acts between two dehydrogenases. Its presence in trace amounts can catalyze the redox reaction (electron transfer) between the two substrates.

Storage method

This product should be sealed in4Preserve dry.

Synthesis method

None

Purpose

Biochemical research. Medical research, clinical diagnosis. Organic Synthesis. Participates in energy metabolism and material metabolism in the body, which is beneficial to cell repair and renewal. Used for the treatment of coronary heart disease, myocarditis, and leukopenia.