Vitamin B6 Impurity 58

CAT: 1299-RM-V307758-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-V307758-01Size:10 mg

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CAS Number

19203-53-3

Synonyms

1- ((5-hydroxy-4- (hydroxymethyl) -6-methylpyridin-3-yl) methyl) -4,5-bis (hydroxymethyl) -2-methylpyridin-1-ium-3-olate

Molecular Formula

C16H20N2O5

Molecular Weight

320.34

Target Alternative Name

Vitamin

Product Name Synonym

1- ((5-hydroxy-4- (hydroxymethyl) -6-methylpyridin-3-yl) methyl) -4,5-bis (hydroxymethyl) -2-methylpyridin-1-ium-3-olate

Chemical Information

1-((5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl)methyl)-4,5-bis(hydroxymethyl)-2-methylpyridin-1-ium-3-olate

CAS Number	19203-53-3
PubChem CID	168449537
IUPAC Name	1-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]-4,5-bis(hydroxymethyl)-2-methylpyridin-1-ium-3-olate
Molecular Formula	C16H20N2O5
Molecular Weight	320.34
XLogP	0.7
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	372

SMILES

CC1=NC=C(C(=C1O)CO)C[N+]2=C(C(=C(C(=C2)CO)CO)[O-])C

InChI

InChI=1S/C16H20N2O5/c1-9-15(22)13(7-20)11(3-17-9)4-18-5-12(6-19)14(8-21)16(23)10(18)2/h3,5,19-21H,4,6-8H2,1-2H3,(H-,22,23)

InChIKey

PUWPIVYCVCSIBR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19203-53-3

CID: 168449537

Formula: C16H20N2O5

MW: 320.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	320.34
XLogP3	0.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	320.13722174
Monoisotopic Mass	320.13722174
Topological Polar Surface Area	121 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	372
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-V308658-01	Vitamin A Impurity 58
RM-V307938-01	Vitamin B6 Impurity 92 (Vitamin B6 Tetramer)
RM-V308120-01	Vitamin B6 Impurity 120
RM-V308119-01	Vitamin B6 Impurity 119
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

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