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2,2',4,4',5,5'-hexahydroxy-7,7'-dimethyl-9H,9'H-[9,9'-bianthracene]-10,10'-dione

2,2',4,4',5,5'-hexahydroxy-7,7'-dimethyl-9H,9'H-[9,9'-bianthracene]-10,10'-dione

Formula: C30H22O8

SMILES: CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1O)C2C1C2=C(C(O)=CC(C)=C2)C(=O)C2=C1C=C(O)C=C2O

IUPAC: 2,2',4,4',5,5'-hexahydroxy-7,7'-dimethyl-9H,9'H,10H,10'H-[9,9'-bianthracene]-10,10'-dione

InChI: InChI=1/C30H22O8/c1-11-3-15-23(17-7-13(31)9-21(35)27(17)29(37)25(15)19(33)5-11)24-16-4-12(2)6-20(34)26(16)30(38)28-18(24)8-14(32)10-22(28)36/h3-10,23-24,31-36H,1-2H3

Composition: C (70.58%), H (4.34%), O (25.07%)

Molar Mass: 510.498

Atom Count: 60

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 2
Exact Mass 510.131467668
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 6
InChIKey UUXPVUHOWQPCSC-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 140.69
Topological Polar Surface Area 155.52
Polarizability 52.47
Ring Count 6
Rotatable Bond Count 1

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