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Home > Other Heterocycles > 73353-54-5
73353-54-5 | 3,6,9,12,15,18,21-Heptaoxa-27-azabicyclo[21.3.1]heptacosa-1(27),23,25-triene-2,22-dione, 25-methoxy-
CAS No: 73353-54-5 Catalog No: AG0060OA MDL No:
Product Description
Catalog Number:
AG0060OA
Chemical Name:
3,6,9,12,15,18,21-Heptaoxa-27-azabicyclo[21.3.1]heptacosa-1(27),23,25-triene-2,22-dione, 25-methoxy-
CAS Number:
73353-54-5
Molecular Formula:
C20H29NO10
Molecular Weight:
443.4450
IUPAC Name:
25-methoxy-3,6,9,12,15,18,21-heptaoxa-27-azabicyclo[21.3.1]heptacosa-1(26),23(27),24-triene-2,22-dione
InChI:
InChI=1S/C20H29NO10/c1-24-16-14-17-19(22)30-12-10-28-8-6-26-4-2-25-3-5-27-7-9-29-11-13-31-20(23)18(15-16)21-17/h14-15H,2-13H2,1H3
InChI Key:
DTZSYXPWRJYPQY-UHFFFAOYSA-N
SMILES:
COc1cc2nc(c1)C(=O)OCCOCCOCCOCCOCCOCCOC2=O
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.179g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
443.449g/mol
Monoisotopic Mass:
443.179g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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