3-Hydroxydecanedioic acid

CAT: 0931-T29407-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T29407-02Size:50 mg

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CAS Number

68812-93-1

Target

Others

Related Pathways

Others

Bioactivity

3-hydroxydecanedioic acid can be found in ketoacidosis of urinary metabolites.

Smiles

O=C(O)CC(O)CCCCCCC(O)=O

Molecular Formula

C10H18O5

Molecular Weight

218.25

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

3-Hydroxysebacic acid

3-hydroxysebacic acid is an alpha,-dicarboxylic acid that is decanedioic (sebacic) acid carrying a hydroxy substituent at position 3. It has a role as a human urinary metabolite. It is a dicarboxylic fatty acid, an alpha,omega-dicarboxylic acid and a 3-hydroxy carboxylic acid. It is functionally related to a sebacic acid. It is a conjugate acid of a 3-hydroxysebacate and a 3-hydroxysebacate(2-).

CAS Number	68812-93-1
PubChem CID	3017884
IUPAC Name	3-hydroxydecanedioic acid
Molecular Formula	C10H18O5
Molecular Weight	218.25
XLogP	0.8
Topological Polar Surface Area	94.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Heavy Atom Count	15
Formal Charge	0
Complexity	202

SMILES

C(CCCC(=O)O)CCC(CC(=O)O)O

InChI

InChI=1S/C10H18O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)

InChIKey

OQYZCCKCJQWHIE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 68812-93-1

CID: 3017884

Formula: C10H18O5

MW: 218.25

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	218.25
XLogP3	0.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	218.11542367
Monoisotopic Mass	218.11542367
Topological Polar Surface Area	94.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	202
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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T39053	3,3-Dibromopropenoic acid
TYD-00597-01	3,3',3''-Nitrilotripropionic Acid
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TN9253-01	3-Ethylbenzoic acid

Alternative Products

Catalog	Name
GTR19224149-01	3-Hydroxydecanedioic acid
418330-01	2-Hydroxydecanedioic Acid
34825450-1g	3,3',5-Triiodothyroacetic acid, free acid
C7173-1000	3,3-Dimethylglutaric acid
HY-W091636-01	3,3'-Azanediyldipropanoic acid
RLC35226-01	3,3-Dicyclobutylpropanoic acid
FD79195-01	3,3-Difluoropentanedioic Acid
FD33667-01	3,3-Diphenylpropionic acid
IWC69923-01	3,3-Difluoropentanoic acid
273432-01	3,3-Dimethylacrylic acid

3-Hydroxydecanedioic acid

Chemical Information

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