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Home > Other Heterocycles > 6936-78-3
6936-78-3 | 3,3'',6,6''-tetrahydroxydispiro[xanthene-9,1'-benzo[1,2-c:4,5-c']difuran-5',9''-xanthene]-3',7'-dione
CAS No: 6936-78-3 Catalog No: AG006FH1 MDL No:
Product Description
Catalog Number:
AG006FH1
Chemical Name:
3,3'',6,6''-tetrahydroxydispiro[xanthene-9,1'-benzo[1,2-c:4,5-c']difuran-5',9''-xanthene]-3',7'-dione
CAS Number:
6936-78-3
Molecular Formula:
C34H18O10
Molecular Weight:
586.5007
InChI:
InChI=1S/C34H18O10/c35-15-1-5-21-27(9-15)41-28-10-16(36)2-6-22(28)33(21)25-13-20-26(14-19(25)31(39)43-33)34(44-32(20)40)23-7-3-17(37)11-29(23)42-30-12-18(38)4-8-24(30)34/h1-14,35-38H
InChI Key:
VXYOZMGEWUONQX-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cc3C(=O)OC4(c3c2)c2ccc(cc2Oc2c4ccc(c2)O)O)ccc(c1)O
NSC Number:
43945
Properties
Complexity:
1050
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
586.09g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
586.508g/mol
Monoisotopic Mass:
586.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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