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70460-32-1 | 4H-1-Benzopyran-4-one,5,6,7,8-tetramethoxy-2-(2,3,4,5,6-pentamethoxyphenyl)-
CAS No: 70460-32-1 Catalog No: AG005IW1 MDL No:
Product Description
Catalog Number:
AG005IW1
Chemical Name:
4H-1-Benzopyran-4-one,5,6,7,8-tetramethoxy-2-(2,3,4,5,6-pentamethoxyphenyl)-
CAS Number:
70460-32-1
Molecular Formula:
C24H28O11
Molecular Weight:
492.4725
IUPAC Name:
5,6,7,8-tetramethoxy-2-(2,3,4,5,6-pentamethoxyphenyl)chromen-4-one
InChI:
InChI=1S/C24H28O11/c1-26-15-13-11(25)10-12(35-18(13)22(32-7)24(34-9)19(15)29-4)14-16(27-2)20(30-5)23(33-8)21(31-6)17(14)28-3/h10H,1-9H3
InChI Key:
ZFGYUNMCDABKIT-UHFFFAOYSA-N
SMILES:
COc1c(c2cc(=O)c3c(o2)c(OC)c(c(c3OC)OC)OC)c(OC)c(c(c1OC)OC)OC
NSC Number:
67830
Properties
Complexity:
710
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.163g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
492.477g/mol
Monoisotopic Mass:
492.163g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Identification of HIV-1 integrase inhibitors based on a four-point pharmacophore. | Antiviral chemistry & chemotherapy 19981101 |
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