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10-Hydroxystearic Acid

CAT: 0926-FH175827-04Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-FH175827-04Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
638-26-6
MDL Number
MFCD08693364
Smiles
CCCCCCCCC (CCCCCCCCC (=O) O) O
Molecular Formula
C18H36O3
Molecular Weight
300.48 g/mol
Controlled
No

Chemical Information

10-Hydroxystearic Acid

10-hydroxyoctadecanoic acid is a hydroxy fatty acid that is octadecanoic acid carrying a hydroxy group at position 10. It has a role as a bacterial xenobiotic metabolite. It is a long-chain fatty acid and a hydroxy fatty acid. It is functionally related to an octadecanoic acid. It is a conjugate acid of a 10-hydroxyoctadecanoate.

CAS Number638-26-6
PubChem CID9561835
IUPAC Name10-hydroxyoctadecanoic acid
Molecular FormulaC18H36O3
Molecular Weight300.5
XLogP6.5
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Heavy Atom Count21
Formal Charge0
Complexity229
SMILES
CCCCCCCCC(CCCCCCCCC(=O)O)O
InChI
InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
InChIKey
PAZZVPKITDJCPV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 10-Hydroxystearic Acid
CAS: 638-26-6
CID: 9561835
Formula: C18H36O3
MW: 300.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.5
XLogP36.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Exact Mass300.26644501
Monoisotopic Mass300.26644501
Topological Polar Surface Area57.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity229
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-W128156-0110-Hydroxystearic acid
HY-W983371A10 (S) -Hydroxystearic acid
HY-W98337110 (R) -Hydroxystearic acid
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BUP02337-012-Hydroxystearic acid
TRC-H953782-25MG12-Hydroxystearic Acid-d34
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