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Vitamin B6 structure
Vitamin B6 structure

Vitamin B6

Iupac Name:(5-hydroxy-4,6-dimethylpyridin-3-yl)methyl phosphate
CAS No.: 8059-24-3
Molecular Weight:231.14
Modify Date.: 2022-11-29 04:59
Introduction:

VITAMIN B 6 refers to several PICOLINES (especially PYRIDOXINE; PYRIDOXAL; and PYRIDOXAMINE) that are efficiently converted by the body to PYRIDOXAL PHOSPHATE which is a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, and aminolevulinic acid. During transamination of amino acids, pyridoxal phosphate is transiently converted into PYRIDOXAMINE phosphate. Although pyridoxine and Vitamin B 6 are still frequently used as synonyms, especially by medical researchers, this practice is erroneous and sometimes misleading (EE Snell; Ann NY Acad Sci, vol 585 pg 1, 1990). Most of vitamin B6 is eventually degraded to PYRIDOXIC ACID and excreted in the urine.

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1. Names and Identifiers
1.1 Name
Vitamin B6
1.2 Synonyms

(+)-BIOTIN (5-Hydroxy-4,6-dimethyl-3-pyridinyl)methyl phosphate (5-Hydroxy-4,6-dimethylpyridin-3-yl)methyl phosphate 3-Pyridinemethanol, 5-hydroxy-4,6-dimethyl-, α-(dihydrogen phosphate), ion(2-) BIOEPIDERM BIOS H BIOTIN BIOTIN(V-H) BIOTIN, IMMOBILIZED ON DEXTRAN BIOTIN, IMMOBILIZED ON DEXTRAN-LYSINE BIOTINUM EINECS 200-399-3 MFCD00005541

1.3 CAS No.
8059-24-3
1.4 CID
104817
1.5 EINECS(EC#)
232-503-8
1.6 Molecular Formula
C8H10NO5P-2 (isomer)
1.7 Inchi
InChI=1S/C8H12NO5P/c1-5-7(4-14-15(11,12)13)3-9-6(2)8(5)10/h3,10H,4H2,1-2H3,(H2,11,12,13)/p-2
1.8 InChkey
RBCOYOYDYNXAFA-UHFFFAOYSA-L
1.9 Canonical Smiles
CC1=C(C(=NC=C1COP(=O)([O-])[O-])C)O
1.10 Isomers Smiles
CC1=C(C(=NC=C1COP(=O)([O-])[O-])C)O
2. Properties
2.1 Melting point
231-233 °C(lit.)
2.1 Boiling point
567.6 °C at 760 mmHg
2.1 Flash Point
297.1 °C
2.1 Precise Quality
231.02965942
2.1 PSA
115.35000
2.1 logP
1.88970
2.1 Solubility
H2O: 0.2?mg/mL Solubility increases with addition of 1?N NaOH.
2.2 Appearance
powder
2.3 Storage
2-8°C
2.4 Water Solubility
H2O: 0.2?mg/mL Solubility increases with addition of 1?N NaOH.
2.5 StorageTemp
2-8°C
3. Safety and Handling
3.1 Risk Statements
24/25
3.1 Safety Statements
24/25
3.1 WGK Germany
1
3.1 RTECS
XJ9088200
3.1 Safety

Safety Statements of Vitamin B6 (CAS NO.8059-24-3):?24/25?
S24/25: Avoid contact with skin and eyes.
WGK Germany: 1
RTECS: XJ9088200
F: 8

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

6. Other Information
6.0 Synthesis Reference(s)
Journal of the American Chemical Society, 80, p. 6244, 1958 DOI: 10.1021/ja01556a021
6.1 Biological Activity
VITAMIN B6 (Pyridoxine). Infrequently called adermine or pyridoxol, this vitamin participates in protein, carbohydrate, and lipid metabolism.
6.2 用途

>98%,Standard References
6.3 Mesh
A group of water-soluble vitamins, some of which are COENZYMES. (See all compounds classified as Vitamin B Complex.)
6.4 Mesh Entry Terms
Vitamin B 6
7. Computational chemical data
  • Molecular Weight: 231.14g/mol
  • Molecular Formula: C8H10NO5P-2
  • Compound Is Canonicalized: True
  • XLogP3-AA: -0.9
  • Exact Mass: 231.02965942
  • Monoisotopic Mass: 231.02965942
  • Complexity: 244
  • Rotatable Bond Count: 2
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Topological Polar Surface Area: 106
  • Heavy Atom Count: 15
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADccByOAIAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAACCAADAzhngYuhpIIExCgQxRnRISCgCAxYCAA2CA9TJgKJmLSkZOEcAhmwBHY2AfwUAMOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
8. Question & Answer
  • What is vitamin B6? Feb 09 2022
    Hey, Anyone who has done enzyme biology will tell you that this is one of the most important vitamins. Mostly because it’s an essential cofactor to enzymes that help in decarboxylation, transamination, and deamination. SO enzymatically speaking you will be pretty good with good amounts of B6. Phys...
  • Vitamin B6 is a vitamin that is naturally present in many foods. The body needs vitamin B6 for more than 100 enzyme reactions involved in metabolism. Vitamin B6 is also involved in brain development during pregnancy and infancy as well as immune function. Source Vitamin B6 is found naturally in man...
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