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102694-33-7 | 3,9-Perylenedione, 1,2,6b,7,8,12b-hexahydro-1,4,7,10-tetrahydroxy-, (1S,6bS,7S,12bS)-
CAS No: 102694-33-7 Catalog No: AG00085G MDL No:
Product Description
Catalog Number:
AG00085G
Chemical Name:
3,9-Perylenedione, 1,2,6b,7,8,12b-hexahydro-1,4,7,10-tetrahydroxy-, (1S,6bS,7S,12bS)-
CAS Number:
102694-33-7
Molecular Formula:
C20H16O6
Molecular Weight:
352.3374
IUPAC Name:
(1S,6bS,7S,12bS)-1,4,7,10-tetrahydroxy-1,2,6b,7,8,12b-hexahydroperylene-3,9-dione
InChI:
InChI=1S/C20H16O6/c21-9-3-1-7-15-11(23)5-14(26)20-10(22)4-2-8(18(15)20)16-12(24)6-13(25)19(9)17(7)16/h1-4,11-12,15-16,21-24H,5-6H2/t11-,12-,15+,16+/m0/s1
InChI Key:
MCWOXLPZYFOWRX-YXAMBPQSSA-N
SMILES:
O[C@H]1CC(=O)c2c3[C@@H]1c1ccc(c4c1[C@H](c3ccc2O)[C@@H](O)CC4=O)O
UNII:
6174N766ZN
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
352.095g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
352.342g/mol
Monoisotopic Mass:
352.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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