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12 (S) -hydroxy-16-Heptadecynoic Acid

CAT: 0013-GTR19201536-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201536-01Size:1 mg
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Description
12 (S) -hydroxy-16-Heptadecynoic Acid
CAS Number
148019-74-3
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
[C@H] (CCCCCCCCCCC (O) =O) (CCCC#C) O
Molecular Formula
C17H30O3
Molecular Weight
282.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

12S-Hydroxy-16-heptadecynoic acid

12S-Hydroxy-16-heptadecynoic acid is a long-chain fatty acid.

CAS Number148019-74-3
PubChem CID5282972
IUPAC Name(12S)-12-hydroxyheptadec-16-ynoic acid
Molecular FormulaC17H30O3
Molecular Weight282.4
XLogP4.7
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count20
Formal Charge0
Complexity277
SMILES
C#CCCC[C@H](CCCCCCCCCCC(=O)O)O
InChI
InChI=1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h1,16,18H,3-15H2,(H,19,20)/t16-/m1/s1
InChIKey
HBFCVDJQUPEEIC-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of 12S-Hydroxy-16-heptadecynoic acid
CAS: 148019-74-3
CID: 5282972
Formula: C17H30O3
MW: 282.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.4
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass282.21949481
Monoisotopic Mass282.21949481
Topological Polar Surface Area57.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity277
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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