Vitamin B6 Impurity 119

CAT: 1299-RM-V308119-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-V308119-01Size:10 mg

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CAS Number

29712-70-7

Synonyms

(3-hydroxypyridine-2,4,5-triyl) trimethanol

Molecular Formula

C8H11NO4

Molecular Weight

185.18

Target Alternative Name

Vitamin B6

Product Name Synonym

(3-hydroxypyridine-2,4,5-triyl) trimethanol

Chemical Information

3-Hydroxy-2,4,5-trihydroxymethylpyridine

precursor substrate for pyridoxine synthesis by Kloeckera apiculate (yeast); RN given refers to parent cpd; structure

CAS Number	29712-70-7
PubChem CID	101491
IUPAC Name	2,4,5-tris(hydroxymethyl)pyridin-3-ol
Molecular Formula	C8H11NO4
Molecular Weight	185.18
XLogP	-2
Topological Polar Surface Area	93.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	155

SMILES

C1=C(C(=C(C(=N1)CO)O)CO)CO

InChI

InChI=1S/C8H11NO4/c10-2-5-1-9-7(4-12)8(13)6(5)3-11/h1,10-13H,2-4H2

InChIKey

FLVIETJQVDUKMQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29712-70-7

CID: 101491

Formula: C8H11NO4

MW: 185.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.18
XLogP3	-2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	185.06880783
Monoisotopic Mass	185.06880783
Topological Polar Surface Area	93.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	155
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
Compound Is Canonicalized	Yes

Catalog	Name
RM-V307938-01	Vitamin B6 Impurity 92 (Vitamin B6 Tetramer)
RM-V307819-01	Vitamin K1 Impurity 119
RM-V308120-01	Vitamin B6 Impurity 120
RM-V307779-01	Vitamin B6 Impurity 79
RM-V307784-01	Vitamin B6 Impurity 84
RM-V307937-01	Vitamin B6 Impurity 91
RM-V308108-01	Vitamin B6 Impurity 106
RM-V307778-01	Vitamin B6 Impurity 78
RG-A262768-01	Vitamin B6 Impurity 63
RM-V308132-01	Vitamin B6 Impurity 132

Catalog	Name
AR-V01550-01	Vitamin A Impurity C (retro-Vitamin A)
HY-76871-01	Vitamin impurity 4
HY-Z1075	Vitamin impurity 2
468726	Vitamin D2 Impurity
GTR19280568-01	Vitamin impurity 3
AR-V01542-01	Vitamin B6 Impurity
AR-V06822-01	Vitamin K1 Impurity 14 (Vitamin K4)
AR-V07170-01	Vitamin D3 Impurity 15
AR-V06848-01	Vitamin K2 Impurity 10
AR-V06847-01	Vitamin K2 Impurity 8