4-Methylpentanoic-d11 acid

CAT: 0931-TMIJ-0049-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-TMIJ-0049-01Size:1 mg

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CAS Number

344298-98-2

Bioactivity

4-Methylpentanoic-d11 acid is a deuterated compound of 4-Methylpentanoic acid. 4-Methylpentanoic acid has a CAS number of 646-07-1. 4-Methylpentanoic acid is a short-chain fatty acid (SCFA) and a metabolite of 20 alpha-hydroxycholesterol.

Smiles

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

Molecular Formula

C6H1D11O2

Molecular Weight

127.23

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

4-Methylpentanoic-d11 Acid

CAS Number	344298-98-2
PubChem CID	57608845
IUPAC Name	2,2,3,3,4,5,5,5-octadeuterio-4-(trideuteriomethyl)pentanoic acid
Molecular Formula	C6H12O2
Molecular Weight	127.23
XLogP	1.4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	76

SMILES

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

InChI

InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/i1D3,2D3,3D2,4D2,5D

InChIKey

FGKJLKRYENPLQH-KUXNVAAFSA-N

Chemical Structure

2D Structure

CAS: 344298-98-2

CID: 57608845

Formula: C6H12O2

MW: 127.23

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	127.23
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	127.152773827
Monoisotopic Mass	127.152773827
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	76.6
Isotope Atom Count	11
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

Related Products

Catalog	Name
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TMIJ-0051-01	Hexanoic-d11 acid
TMID-0267-01	Glipizide-d11
T9901A-809-01	IMC-D11
T19527	Praziquantel D11
TMID-0242-01	Capecitabine-d11
TMIH-0268-01	Hydroxy Tetramethylpyrazine-d11
T12638-01	(R) -Praziquantel-d11

Alternative Products

Catalog	Name
HY-W015882S1-01	4-Methylpentanoic acid-d11
AAA10543	3-Methylpentanoic-d11 acid
MBS3615665-01	4-Methylpentanoic acid
HY-W015882R-01	4-Methylpentanoic acid (Standard)
REA28757	4-Methylpentanoic-d12 acid
HY-W015882S-01	4-Methylpentanoic acid-d12
M24450-01	4-Methylpentanoic acid 98%
OR92444-01	4-Amino-4-methylpentanoic acid
OR323129	4-Mercapto-4-methylpentanoic acid
OR1001695	4-Methoxy-4-methylpentanoic acid

4-Methylpentanoic-d11 acid

Chemical Information

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