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822520-88-7 | Phosphoric acid, bis[2-[[2-(acetyloxy)ethyl]dithio]ethyl]6-formyl-5-hydroxy-2-naphthalenyl ester
CAS No: 822520-88-7 Catalog No: AG00500C MDL No:
Product Description
Catalog Number:
AG00500C
Chemical Name:
Phosphoric acid, bis[2-[[2-(acetyloxy)ethyl]dithio]ethyl]6-formyl-5-hydroxy-2-naphthalenyl ester
CAS Number:
822520-88-7
Molecular Formula:
C23H27O10PS4--
Molecular Weight:
622.6882
IUPAC Name:
[1,3-bis[2-(2-acetyloxyethyldisulfanyl)ethyl]-6-formyl-5-hydroxynaphthalen-2-yl] phosphate
InChI:
InChI=1S/C23H29O10PS4/c1-15(25)31-7-11-37-35-9-5-17-13-21-19(4-3-18(14-24)22(21)27)20(23(17)33-34(28,29)30)6-10-36-38-12-8-32-16(2)26/h3-4,13-14,27H,5-12H2,1-2H3,(H2,28,29,30)/p-2
InChI Key:
IHSGAMYSCDGKPO-UHFFFAOYSA-L
SMILES:
O=Cc1ccc2c(c1O)cc(c(c2CCSSCCOC(=O)C)OP(=O)([O-])[O-])CCSSCCOC(=O)C
Properties
Complexity:
789
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
622.022g/mol
Formal Charge:
-2
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
622.673g/mol
Monoisotopic Mass:
622.022g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
264A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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