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Hexadecanedioic acid

CAT: 0013-GTR19158303-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158303-02Size:500 mg
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Description
Hexadecanedioic acid is a common saturated fatty acid found in animals plants and microorganisms. It has antitumor activity.
CAS Number
505-54-4
Product Name Alternative
Thapsic acid | 116-Hexadecanedioic acid | 114-Tetradecanedicarboxylic acid
Purity
>98% (HPLC)
Solubility
DMSO:199.3 mM
Smiles
OC (=O) CCCCCCCCCCCCCCC (O) =O
Molecular Formula
C16H30O4
Molecular Weight
286.41
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Hexadecanedioic acid

Hexadecanedioic acid is an alpha,-dicarboxylic acid that is the 1,14-dicarboxy derivative of tetradecane. It has a role as a human metabolite. It is a dicarboxylic fatty acid and an alpha,omega-dicarboxylic acid. It is a conjugate acid of a hexadecanedioate(2-).

CAS Number505-54-4
PubChem CID10459
IUPAC Namehexadecanedioic acid
Molecular FormulaC16H30O4
Molecular Weight286.41
XLogP5.4
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Heavy Atom Count20
Formal Charge0
Complexity225
SMILES
C(CCCCCCCC(=O)O)CCCCCCC(=O)O
InChI
InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)
InChIKey
QQHJDPROMQRDLA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexadecanedioic acid
CAS: 505-54-4
CID: 10459
Formula: C16H30O4
MW: 286.41
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight286.41
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Exact Mass286.21440943
Monoisotopic Mass286.21440943
Topological Polar Surface Area74.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity225
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes