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149365-62-8 | 1H-Pyrrole-2-carboxaldehyde, 5,5'-[(3,4-diethyl-1H-pyrrole-2,5-diyl)bis(methylene)]bis[4-(3-hydroxypropyl)-3-methyl-
CAS No: 149365-62-8 Catalog No: AG001LMS MDL No:
Product Description
Catalog Number:
AG001LMS
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 5,5'-[(3,4-diethyl-1H-pyrrole-2,5-diyl)bis(methylene)]bis[4-(3-hydroxypropyl)-3-methyl-
CAS Number:
149365-62-8
Molecular Formula:
C28H39N3O4
Molecular Weight:
481.6270
IUPAC Name:
5-[[3,4-diethyl-5-[[5-formyl-3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C28H39N3O4/c1-5-19-20(6-2)24(14-26-22(10-8-12-33)18(4)28(16-35)31-26)29-23(19)13-25-21(9-7-11-32)17(3)27(15-34)30-25/h15-16,29-33H,5-14H2,1-4H3
InChI Key:
OOOQNKMJLOLMHC-UHFFFAOYSA-N
SMILES:
OCCCc1c(Cc2[nH]c(c(c2CC)CC)Cc2[nH]c(c(c2CCCO)C)C=O)[nH]c(c1C)C=O
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.294g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
481.637g/mol
Monoisotopic Mass:
481.294g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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