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Monodocosahexaenoin

CAT: 1596-AR-M03607-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M03607-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
124516-13-8
Synonyms
4,7,10,13,16,19-Docosahexaenoic acid, 2,3-dihydroxypropyl ester, (all-Z) -
Molecular Formula
C25H38O4
Molecular Weight
402.57
API Name
Misc

Chemical Information

Docosahexaenoic Acid Monoglyceride (DHA-MG)
CAS Number124516-13-8
PubChem CID168006881
IUPAC Name(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;propane-1,2,3-triol
Molecular FormulaC25H40O5
Molecular Weight420.6
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Heavy Atom Count30
Formal Charge0
Complexity488
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O.C(C(CO)O)O
InChI
InChI=1S/C22H32O2.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;4-1-3(6)2-5/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24);3-6H,1-2H2/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;
InChIKey
OMWJQTYBVUXGRR-FPYKSTABSA-N
Chemical Structure
2D Structure
2D structure of Docosahexaenoic Acid Monoglyceride (DHA-MG)
CAS: 124516-13-8
CID: 168006881
Formula: C25H40O5
MW: 420.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Exact Mass420.28757437
Monoisotopic Mass420.28757437
Topological Polar Surface Area98 Ų
Heavy Atom Count30
Formal Charge0
Complexity488
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count6
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
456538-01Monodocosahexaenoin
MBS392868-011-Monodocosahexaenoin

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