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156768-16-0 | [2,9'-Bianthracene]-4',8(1'H,5H)-dione, 2',3',6,7-tetrahydro-1,2',5',6,9,10'-hexahydroxy-2',6-dimethyl-, (2S,2'S,6R)- (9CI)
CAS No: 156768-16-0 Catalog No: AG001OZB MDL No:
Product Description
Catalog Number:
AG001OZB
Chemical Name:
[2,9'-Bianthracene]-4',8(1'H,5H)-dione, 2',3',6,7-tetrahydro-1,2',5',6,9,10'-hexahydroxy-2',6-dimethyl-, (2S,2'S,6R)- (9CI)
CAS Number:
156768-16-0
IUPAC Name:
(3S)-3,8,9-trihydroxy-3-methyl-7-[(2R)-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl]-2,4-dihydroanthracen-1-one
InChI:
InChI=1S/C30H26O8/c1-29(37)9-14-8-13-6-7-16(26(34)22(13)27(35)21(14)19(32)11-29)23-15-4-3-5-18(31)24(15)28(36)25-17(23)10-30(2,38)12-20(25)33/h3-8,31,34-38H,9-12H2,1-2H3/t29-,30+/m0/s1
InChI Key:
FBPZAGOTWAVQJH-XZWHSSHBSA-N
UNII:
5WSH25U3R5
NSC Number:
667839
Properties
Complexity:
970
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
514.163g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
514.53g/mol
Monoisotopic Mass:
514.163g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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