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(±) -1,2-Diolein

CAT: 0013-GTR19189071-04Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189071-04Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(±) -1,2-Diolein
CAS Number
2442-61-7
Field of Research
Epigenetics & Chromatin, Signal Transduction
Smiles
C (OC (CCCCCCC/C=C\CCCCCCCC) =O) (COC (CCCCCCC/C=C\CCCCCCCC) =O) CO
Molecular Formula
C39H72O5
Molecular Weight
620.99
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,2-Dioleoylglycerol

1,2-dioleoylglycerol is a 1,2-diglyceride and a dioleoylglycerol.

CAS Number2442-61-7
PubChem CID5497164
IUPAC Name[3-hydroxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
Molecular FormulaC39H72O5
Molecular Weight621.0
XLogP14.3
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count36
Heavy Atom Count44
Formal Charge0
Complexity671
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17-,20-18-
InChIKey
AFSHUZFNMVJNKX-CLFAGFIQSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Dioleoylglycerol
CAS: 2442-61-7
CID: 5497164
Formula: C39H72O5
MW: 621.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight621.0
XLogP314.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count36
Exact Mass620.53797539
Monoisotopic Mass620.53797539
Topological Polar Surface Area72.8 Ų
Heavy Atom Count44
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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