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Home > Other Heterocycles > 14225-07-1
14225-07-1 | 1,7-Dioxaspiro[4.4]nonane-2,6-dione, 8-[(1S)-1,2-dihydroxyethyl]-9-hydroxy-4-(4-hydroxyphenyl)-, (4R,5S,8R,9R)- (9CI)
CAS No: 14225-07-1 Catalog No: AG001I21 MDL No:
Product Description
Catalog Number:
AG001I21
Chemical Name:
1,7-Dioxaspiro[4.4]nonane-2,6-dione, 8-[(1S)-1,2-dihydroxyethyl]-9-hydroxy-4-(4-hydroxyphenyl)-, (4R,5S,8R,9R)- (9CI)
CAS Number:
14225-07-1
Molecular Formula:
C15H16O8
Molecular Weight:
324.2827
IUPAC Name:
8-(1,2-dihydroxyethyl)-9-hydroxy-4-(4-hydroxyphenyl)-1,7-dioxaspiro[4.4]nonane-2,6-dione
InChI:
InChI=1S/C15H16O8/c16-6-10(18)12-13(20)15(14(21)22-12)9(5-11(19)23-15)7-1-3-8(17)4-2-7/h1-4,9-10,12-13,16-18,20H,5-6H2
InChI Key:
JVCLQSJXGOABTC-UHFFFAOYSA-N
SMILES:
OC[C@@H]([C@H]1OC(=O)[C@]2([C@@H]1O)OC(=O)C[C@@H]2c1ccc(cc1)O)O
NSC Number:
112845
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.085g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
324.285g/mol
Monoisotopic Mass:
324.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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