Hexacosanoic acid methyl ester-d3

CAT: 0804-HY-134127S2-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-134127S2-01Size:1 mg

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Description

Hexacosanoic acid methyl ester-d3 (C26:0 methyl ester-d3) is deuterium labeled Methyl hexacosanoate. Methyl hexacosanoate is a biochemical reagent that can be used as a biological material or organic compound for life science related research[1].

CAS Number

2743078-84-2

Product Name Alternative

C26:0 methyl ester-d3; Ceic acid methyl ester-d3; Ceotic acid methyl ester-d3; SFE 27:0-d3

UNSPSC

12352211

Target

Biochemical Assay Reagents; Isotope-Labeled Compounds

Type

Isotope-Labeled Compounds

Related Pathways

Others

Field of Research

Others

Smiles

O=C(CCCCCCCCCCCCCCCCCCCCCCCCC([2H])([2H])[2H])OC

Molecular Formula

C27H51D3O2

Molecular Weight

413.73

References & Citations

[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.

Shipping Conditions

Room temperature

Scientific Category

Isotope-Labeled Compounds

Clinical Information

No Development Reported

Chemical Information

Hexacosanoic Acid Methyl Ester-d3

CAS Number	2743078-84-2
PubChem CID	163335249
IUPAC Name	methyl 26,26,26-trideuteriohexacosanoate
Molecular Formula	C27H54O2
Molecular Weight	413.7
XLogP	13.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	25
Heavy Atom Count	29
Formal Charge	0
Complexity	314

SMILES

[2H]C([2H])([2H])CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC

InChI

InChI=1S/C27H54O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-2/h3-26H2,1-2H3/i1D3

InChIKey

VHUJBYYFFWDLNM-FIBGUPNXSA-N

Chemical Structure

2D Structure

CAS: 2743078-84-2

CID: 163335249

Formula: C27H54O2

MW: 413.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	413.7
XLogP3	13.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	25
Exact Mass	413.431211199
Monoisotopic Mass	413.431211199
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	314
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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HY-113301R-01	Hexacosanoic acid (Standard)
HY-113301S	Hexacosanoic acid-d4
HY-144191S-01	Dichlorprop-methyl ester-d3
HY-144192S-01	MCPA methyl ester-d3
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Alternative Products

Catalog	Name
TRC-H290927-50MG	Hexacosanoic Acid Methyl Ester-d3
451820-01	Hexacosanoic Acid Methyl Ester
451818-01	Hexacosanoic Acid Ethyl Ester
451819	Hexacosanoic Acid Ethyl Ester-d5
MBS393841-01	Hexacosanoic-26,26,26-D3 Acid
TRC-I789262-25MG	Isocapric Acid Methyl-d3 Ester
468354	Tuberculostearic Acid Methyl-d3 Ester
463067	Propionic Acid Methyl-d3 Ester
268996-01	Clavulanic acid methyl ester-d3
452768	Isovaleric Acid Methyl-d3 Ester

Hexacosanoic acid methyl ester-d3

Chemical Information

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