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Alpha-Aleuritic Acid

CAT: 0572-TRC-A525500-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A525500-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
533-87-9
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
OCCCCCC[C@H](O)[C@H](O)CCCCCCCC(=O)O
Molecular Formula
C16 H32 O5
Molecular Weight
304.42
InChI
InChI=1S/C16H32O5/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21)/t14-,15+/m1/s1
Additionnal Information
IUPAC name: (9R,10S)-9,10,16-trihydroxyhexadecanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

9,10,16-Trihydroxyhexadecanoic acid

Aleuretic Acid is a long-chain fatty acid.

CAS Number533-87-9
PubChem CID10790
IUPAC Name9,10,16-trihydroxyhexadecanoic acid
Molecular FormulaC16H32O5
Molecular Weight304.42
XLogP2.5
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count15
Heavy Atom Count21
Formal Charge0
Complexity245
SMILES
C(CCCC(C(CCCCCCO)O)O)CCCC(=O)O
InChI
InChI=1S/C16H32O5/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21)
InChIKey
MEHUJCGAYMDLEL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9,10,16-Trihydroxyhexadecanoic acid
CAS: 533-87-9
CID: 10790
Formula: C16H32O5
MW: 304.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.42
XLogP32.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count15
Exact Mass304.22497412
Monoisotopic Mass304.22497412
Topological Polar Surface Area98 Ų
Heavy Atom Count21
Formal Charge0
Complexity245
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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