adenineflavin

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:146-14-5

MDL number:None

EINECS number:282-733-8

RTECS number:AU7470000

BRN number:None

PubChem ID:None

Physical property data

1. Physical property data:

1. Appearance: orange-yellow powder

2. Solubility: easily soluble in water, insoluble in ethanol, aqueous solution shows yellow-green fluorescence, when exposed to Alkali breaks down into riboflavin.

Toxicological data

2. Toxicological data:

1. Acute toxicity:

Mouse oral LC50: >7 gm/kg;

Mouse intravenous LC50: 589 mg/kg.

Ecological data

3. Ecological data:

Usually it is not harmful to water. Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 168.11

2. Molar volume (cm³/mol): 376.2

3. Isotonic specific volume (90.2K): 1230.5

4. Surface tension (dyne/cm): 114.4

5. Polarizability (10^-24cm³): 66.64

Compute chemical data

IV. Calculated chemical data:

1. Hydrophobic parameter calculation reference value (XlogP): -5

2. Number of hydrogen bond donors: 9

3. Number of hydrogen bond acceptors: 21

4. Number of rotatable chemical bonds: 13

5. Topological molecular polar surface area (TPSA): 356

6. Number of heavy atoms: 53

7. Surface charge: 0

8. Complexity: 1560

9. Number of isotope atoms: 0

10. Determine the number of atomic stereocenters: 7

11. Uncertain number of atomic stereocenters: 0

12. Determine the number of chemical bond stereocenters: 0

13. The number of uncertain stereocenters of chemical bonds: 0

14. The number of covalent bond units: 1

Properties and stability

Stable under normal temperature and pressure.

Storage method

Store at -20 ºC.

Synthesis method

Purpose

1. Suitable for skin and mucous membrane diseases, neurological tinnitus, cerebral arteriosclerosis, intractable headaches, cirrhosis, jaundice and other liver diseases, eye diseases, and retinal diseases. Intravenous injection too fast may cause temporary chest discomfort.