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85353-19-1 | 1,3,6-Pyrenetrisulfonic acid, 8-(acetyloxy)-
CAS No: 85353-19-1 Catalog No: AG004L78 MDL No:
Product Description
Catalog Number:
AG004L78
Chemical Name:
1,3,6-Pyrenetrisulfonic acid, 8-(acetyloxy)-
CAS Number:
85353-19-1
Molecular Formula:
C18H12O11S3
Molecular Weight:
500.4763
IUPAC Name:
8-acetyloxypyrene-1,3,6-trisulfonic acid
InChI:
InChI=1S/C18H12O11S3/c1-8(19)29-13-6-14(30(20,21)22)10-4-5-12-16(32(26,27)28)7-15(31(23,24)25)11-3-2-9(13)17(10)18(11)12/h2-7H,1H3,(H,20,21,22)(H,23,24,25)(H,26,27,28)
InChI Key:
HTHZAHLMNQGWTE-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(c2c3c1ccc1c3c(cc2)c(cc1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
1080
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
499.954g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
500.463g/mol
Monoisotopic Mass:
499.954g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
215A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Combinatorial discovery of peptide dendrimer enzyme models hydrolyzing isobutyryl fluorescein. | ACS combinatorial science 20110509 |
| Thermodynamic and kinetic stability of synthetic multifunctional rigid-rod beta-barrel pores: evidence for supramolecular catalysis. | Journal of the American Chemical Society 20040818 |
| Synthetic catalytic pores. | Journal of the American Chemical Society 20030702 |
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