1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5-hydroxy-4,6-dimethylpyridin-3-yl)methyl phosphate

2.1.2 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

2.1.3 InChI Key

RBCOYOYDYNXAFA-UHFFFAOYSA-L

2.1.4 Canonical SMILES

CC1=C(C(=NC=C1COP(=O)([O-])[O-])C)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Vitamin B 6

2. Vitamin B6

2.2.2 Depositor-Supplied Synonyms

1. 8059-24-3

2. Vitamin B 6

3. Vitamin B6,(s)

4. Einecs 232-503-8

5. Akos015891944

6. Ft-0636608

7. A19429

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₀NO₅P-₂
Molecular Weight	231.14 g/mol
XLogP3	-0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	231.02965942 g/mol
Monoisotopic Mass	231.02965942 g/mol
Topological Polar Surface Area	106 Å²
Heavy Atom Count	15
Formal Charge	-2
Complexity	244
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Vitamin B Complex

A group of water-soluble vitamins, some of which are COENZYMES. (See all compounds classified as Vitamin B Complex.)

(5-Hydroxy-4,6-Dimethylpyridin-3-Yl)Methyl Phosphate