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Arachidonic acid-d11

CAT: 0926-MBC38784-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-MBC38784-01Size:5 mg
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CAS Number
1287387-84-1
Smiles
CCCCCC=CCC=CCC=CCC=CCCCC (=O) O
Molecular Formula
C20H32O2
Molecular Weight
315.5 g/mol
Controlled
No

Chemical Information

CID 71313480
CAS Number1287387-84-1
PubChem CID71313480
IUPAC Name(5Z,8Z,11Z,14Z)-16,16,17,17,18,18,19,19,20,20,20-undecadeuterioicosa-5,8,11,14-tetraenoic acid
Molecular FormulaC20H32O2
Molecular Weight315.5
XLogP6.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Heavy Atom Count22
Formal Charge0
Complexity362
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-/i1D3,2D2,3D2,4D2,5D2
InChIKey
YZXBAPSDXZZRGB-MBZQHBQHSA-N
Chemical Structure
2D Structure
2D structure of CID 71313480
CAS: 1287387-84-1
CID: 71313480
Formula: C20H32O2
MW: 315.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.5
XLogP36.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Exact Mass315.309274465
Monoisotopic Mass315.309274465
Topological Polar Surface Area37.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity362
Isotope Atom Count11
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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