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117241-61-9 | 2-Naphthacenecarboxylic acid, 6,11-dihydro-3,8,10,12-tetrahydroxy-1-methyl-6,11-dioxo-
CAS No: 117241-61-9 Catalog No: AG000DZQ MDL No:
Product Description
Catalog Number:
AG000DZQ
Chemical Name:
2-Naphthacenecarboxylic acid, 6,11-dihydro-3,8,10,12-tetrahydroxy-1-methyl-6,11-dioxo-
CAS Number:
117241-61-9
Molecular Formula:
C20H12O8
Molecular Weight:
380.3045
IUPAC Name:
3,8,10,12-tetrahydroxy-1-methyl-6,11-dioxotetracene-2-carboxylic acid
InChI:
InChI=1S/C20H12O8/c1-6-13-7(3-11(22)14(6)20(27)28)2-9-16(18(13)25)19(26)15-10(17(9)24)4-8(21)5-12(15)23/h2-5,21-23,25H,1H3,(H,27,28)
InChI Key:
OXCNORDLEQIUCT-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)cc(c(c2C)C(=O)O)O
Properties
Complexity:
692
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.053g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
380.308g/mol
Monoisotopic Mass:
380.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Antitumour compounds from a saline soil isolate, Streptomyces griseoincarnatus CTF15. | Natural product research 20110301 |
| [Cytotoxic compounds from the marine actinobacterium]. | Bioorganicheskaia khimiia 20060101 |
| Synthesis and cytotoxic activity of tetracenomycin D and of saintopin analogues. | Bioorganic & medicinal chemistry 20020201 |
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