Home Other Building Blocks 1-Oleoyl-3-linoleoyl-rac-glycerol

1-Oleoyl-3-linoleoyl-rac-glycerol

CAS No.:
104346-53-4
Catalog Number:
AG00861R
Molecular Formula:
C39H70O5
Molecular Weight:
618.9701
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Product Description
Catalog Number:
AG00861R
Chemical Name:
1-Oleoyl-3-linoleoyl-rac-glycerol
CAS Number:
104346-53-4
Molecular Formula:
C39H70O5
Molecular Weight:
618.9701
MDL Number:
MFCD00673510
IUPAC Name:
[2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (Z)-octadec-9-enoate
InChI:
InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,37,40H,3-10,12,14-16,21-36H2,1-2H3/b13-11-,19-17-,20-18-
InChI Key:
GREDRAMJRDQWEJ-LTEAFHAISA-N
SMILES:
CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C/CC=CCCCCC)O
Properties
Complexity:
711  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3  
Exact Mass:
618.522g/mol
Formal Charge:
0
Heavy Atom Count:
44  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
618.984g/mol
Monoisotopic Mass:
618.522g/mol
Rotatable Bond Count:
35  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
13.7  
Properties