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141869-53-6 | Benzo[a]naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-1,5,7,9,11,14-hexahydroxy-3-methyl-8,13-dioxo-
CAS No: 141869-53-6 Catalog No: AG001HA3 MDL No:
Product Description
Catalog Number:
AG001HA3
Chemical Name:
Benzo[a]naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-1,5,7,9,11,14-hexahydroxy-3-methyl-8,13-dioxo-
CAS Number:
141869-53-6
Molecular Formula:
C24H16O10
Molecular Weight:
464.3778
IUPAC Name:
1,5,7,9,11,14-hexahydroxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
InChI:
InChI=1S/C24H16O10/c1-6-2-8-11(26)5-10-16(15(8)21(30)13(6)24(33)34)23(32)18-17(20(10)29)22(31)14-9(19(18)28)3-7(25)4-12(14)27/h2-4,11,25-27,29-30,32H,5H2,1H3,(H,33,34)
InChI Key:
QJLPWVUZFKETMK-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1O)c1c(C(C2)O)cc(c(c1O)C(=O)O)C
Properties
Complexity:
876
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.074g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
464.382g/mol
Monoisotopic Mass:
464.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
193A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Pradimicin Q, a new pradimicin aglycone, with alpha-glucosidase inhibitory activity. | The Journal of antibiotics 19930301 |
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