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149791-45-7 | 2-Naphthacenecarboxylic acid, 6,11-dihydro-3,8,10,12-tetrahydroxy-1-methyl-11-oxo-
CAS No: 149791-45-7 Catalog No: AG001M08 MDL No:
Product Description
Catalog Number:
AG001M08
Chemical Name:
2-Naphthacenecarboxylic acid, 6,11-dihydro-3,8,10,12-tetrahydroxy-1-methyl-11-oxo-
CAS Number:
149791-45-7
Molecular Formula:
C20H14O7
Molecular Weight:
366.3210
IUPAC Name:
3,8,10,12-tetrahydroxy-1-methyl-11-oxo-6H-tetracene-2-carboxylic acid
InChI:
InChI=1S/C20H14O7/c1-7-14-10(5-12(22)15(7)20(26)27)3-8-2-9-4-11(21)6-13(23)16(9)19(25)17(8)18(14)24/h3-6,21-24H,2H2,1H3,(H,26,27)
InChI Key:
BJSNGVYBQJIGRT-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c2c(c1)Cc1c(C2=O)c(O)c2c(c1)cc(c(c2C)C(=O)O)O
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.074g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
366.325g/mol
Monoisotopic Mass:
366.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Identification of a monooxygenase from Streptomyces coelicolor A3(2) involved in biosynthesis of actinorhodin: purification and characterization of the recombinant enzyme. | Journal of bacteriology 19970701 |
| Isolation and structural elucidation of tetracenomycin F2 and tetracenomycin F1: early intermediates in the biosynthesis of tetracenomycin C in Streptomyces glaucescens. | Journal of natural products 19930801 |
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