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1-Stearin-2-olein

CAT: 0926-WAA05930Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-WAA05930Size:100 mg
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CAS Number
21059-30-3
Smiles
CCCCCCCCCCCCCCCCCC (=O) OCC (CO) OC (=O) CCCCCCCC=CCCCCCCCC
Molecular Formula
C39H74O5
Molecular Weight
623 g/mol
Controlled
No

Chemical Information

1-Stearoyl-2-oleoylglycerol

1-stearoyl-2-oleoylglycerol is a 1,2-diglyceride with stearoyl and oleoyl as the acyl groups. It is functionally related to an oleic acid and an octadecanoic acid.

CAS Number21059-30-3
PubChem CID13886990
IUPAC Name[3-hydroxy-2-[(Z)-octadec-9-enoyl]oxypropyl] octadecanoate
Molecular FormulaC39H74O5
Molecular Weight623.0
XLogP15.3
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count37
Heavy Atom Count44
Formal Charge0
Complexity632
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C39H74O5/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/h18,20,37,40H,3-17,19,21-36H2,1-2H3/b20-18-
InChIKey
SAEPUUXWQQNLGN-ZZEZOPTASA-N
Chemical Structure
2D Structure
2D structure of 1-Stearoyl-2-oleoylglycerol
CAS: 21059-30-3
CID: 13886990
Formula: C39H74O5
MW: 623.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight623.0
XLogP315.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count37
Exact Mass622.55362546
Monoisotopic Mass622.55362546
Topological Polar Surface Area72.8 Ų
Heavy Atom Count44
Formal Charge0
Complexity632
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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