200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 114177-38-7
114177-38-7 | Docosahexaene, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris- (9CI)
CAS No: 114177-38-7 Catalog No: AG000AQE MDL No:
Product Description
Catalog Number:
AG000AQE
Chemical Name:
Docosahexaene, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris- (9CI)
CAS Number:
114177-38-7
Molecular Formula:
C69H104O3
Molecular Weight:
981.5623
IUPAC Name:
1-[2,3-bis(docosa-1,3,5,7,9,11-hexaenoxy)propoxy]docosa-1,3,5,7,9,11-hexaene
InChI:
InChI=1S/C69H104O3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-70-67-69(72-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-71-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h31-66,69H,4-30,67-68H2,1-3H3
InChI Key:
BBNYMFSTKFDOPL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC=CC=CC=CC=CC=CC=COC(COC=CC=CC=CC=CC=CC=CCCCCCCCCCC)COC=CC=CC=CC=CC=CC=CCCCCCCCCCC
Properties
Complexity:
1600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
980.799g/mol
Formal Charge:
0
Heavy Atom Count:
72
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
981.588g/mol
Monoisotopic Mass:
980.799g/mol
Rotatable Bond Count:
50
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
18
XLogP3:
26.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.