4-Pyridoxic Acid-d3

CAT: 0572-TRC-P991877-10MGSize: 10 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-P991877-10MGSize:10 mg

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CAS Number

1435934-03-4

Synonyms

3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic Acid-d3; 3-Hydroxy-5-(hydroxymethyl)-2-methyl-isonicotinic Acid-d3; 2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine-d3; 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic Acid-d3; Pyridoxic Acid-d3; 4-Pyridoxinecarboxylic Acid-d3; 4-Pyridoxinic Acid-d3; 4-Pyridoxylic Acid-d3; NSC 41814-d3

Hazard Statement

Causes skin irritation

Purity

>95% (HPLC)

Smiles

OC1=C(C([2H])([2H])[2H])N=CC(CO)=C1C(O)=O

Molecular Formula

C8H6D3NO4

Molecular Weight

186.18

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

4-Pyridoxic Acid-d3

CAS Number	1435934-03-4
PubChem CID	117064439
IUPAC Name	3-hydroxy-5-(hydroxymethyl)-2-(trideuteriomethyl)pyridine-4-carboxylic acid
Molecular Formula	C8H9NO4
Molecular Weight	186.18
XLogP	0.1
Topological Polar Surface Area	90.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	197

SMILES

[2H]C([2H])([2H])C1=NC=C(C(=C1O)C(=O)O)CO

InChI

InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)/i1D3

InChIKey

HXACOUQIXZGNBF-FIBGUPNXSA-N

Chemical Structure

2D Structure

CAS: 1435934-03-4

CID: 117064439

Formula: C8H9NO4

MW: 186.18

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	186.18
XLogP3	0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	186.07198801
Monoisotopic Mass	186.07198801
Topological Polar Surface Area	90.7 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	197
Isotope Atom Count	3
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

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Alternative Products

Catalog	Name
433419-01	4-Pyridoxic Acid-d3
TMIH-0059-01	4-Pyridoxic Acid-d3 Hydrochloride
sc-232980	4-Pyridoxic acid
RG-P022558-01	4-Pyridoxic Acid Lactone
A12387-10	4-Pyridoxic acid 10mg
AR-P03342-01	4-Pyridoxic Acid-D2
A12387-100	4-Pyridoxic acid 100mg
A12387-50	4-Pyridoxic acid 50mg
A12387-25	4-Pyridoxic acid 25mg
HY-113493R-01	4-Pyridoxic acid (Standard)

4-Pyridoxic Acid-d3

Chemical Information

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