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10038-74-1 | [2,2'-Binaphthalene]-1,1',6,6',7,7'-hexol, 3,3'-dimethyl-5,5'-bis(1-methylethyl)-8,8'-bis[[(1-phenylethyl)imino]methyl]-
CAS No: 10038-74-1 Catalog No: AG0001U8 MDL No:
Product Description
Catalog Number:
AG0001U8
Chemical Name:
[2,2'-Binaphthalene]-1,1',6,6',7,7'-hexol, 3,3'-dimethyl-5,5'-bis(1-methylethyl)-8,8'-bis[[(1-phenylethyl)imino]methyl]-
CAS Number:
10038-74-1
Molecular Formula:
C46H48N2O6
Molecular Weight:
724.8831
IUPAC Name:
3-methyl-8-(1-phenylethyliminomethyl)-5-propan-2-yl-2-[1,6,7-trihydroxy-3-methyl-8-(1-phenylethyliminomethyl)-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol
InChI:
InChI=1S/C46H48N2O6/c1-23(2)35-31-19-25(5)37(43(51)39(31)33(41(49)45(35)53)21-47-27(7)29-15-11-9-12-16-29)38-26(6)20-32-36(24(3)4)46(54)42(50)34(40(32)44(38)52)22-48-28(8)30-17-13-10-14-18-30/h9-24,27-28,49-54H,1-8H3
InChI Key:
BPXIBBNVQKIXGG-UHFFFAOYSA-N
SMILES:
Cc1cc2c(C(C)C)c(O)c(c(c2c(c1c1c(C)cc2c(c1O)c(C=NC(c1ccccc1)C)c(c(c2C(C)C)O)O)O)C=NC(c1ccccc1)C)O
Properties
Complexity:
1150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
724.351g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
724.898g/mol
Monoisotopic Mass:
724.351g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
10.2
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