Home Other Building Blocks (Z)-3-Hydroxypropane-1,2-diyl dioleate

(Z)-3-Hydroxypropane-1,2-diyl dioleate

CAS No.:
2442-61-7
Catalog Number:
AG00BC11
Molecular Formula:
C39H72O5
Molecular Weight:
620.9860
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
In Stock USA
United States
$226
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Product Description
Catalog Number:
AG00BC11
Chemical Name:
(Z)-3-Hydroxypropane-1,2-diyl dioleate
CAS Number:
2442-61-7
Molecular Formula:
C39H72O5
Molecular Weight:
620.9860
MDL Number:
MFCD00043031
IUPAC Name:
[3-hydroxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
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-
InChI Key:
AFSHUZFNMVJNKX-CLFAGFIQSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)CO
Properties
Complexity:
671  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
620.538g/mol
Formal Charge:
0
Heavy Atom Count:
44  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
621g/mol
Monoisotopic Mass:
620.538g/mol
Rotatable Bond Count:
36  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
14.3  
Literature
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Properties