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116384-34-0 | 5,7-Octadienal, 2,3,4-tris(phenylmethoxy)-, (2R,3S,4R,5E)-
CAS No: 116384-34-0 Catalog No: AG000CDA MDL No:
Product Description
Catalog Number:
AG000CDA
Chemical Name:
5,7-Octadienal, 2,3,4-tris(phenylmethoxy)-, (2R,3S,4R,5E)-
CAS Number:
116384-34-0
Molecular Formula:
C29H30O4
Molecular Weight:
442.5461
IUPAC Name:
2,3,4-tris(phenylmethoxy)octa-5,7-dienal
InChI:
InChI=1S/C29H30O4/c1-2-3-19-27(31-21-24-13-7-4-8-14-24)29(33-23-26-17-11-6-12-18-26)28(20-30)32-22-25-15-9-5-10-16-25/h2-20,27-29H,1,21-23H2
InChI Key:
LIXSPXSMHJXSFI-UHFFFAOYSA-N
SMILES:
C=C/C=C/[C@H]([C@@H]([C@@H](OCc1ccccc1)C=O)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.214g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.555g/mol
Monoisotopic Mass:
442.214g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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