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111865-30-6 | 4'-iodo-4'-deoxydoxorubicinol
CAS No: 111865-30-6 Catalog No: AG009QK1 MDL No:
Product Description
Catalog Number:
AG009QK1
Chemical Name:
4'-iodo-4'-deoxydoxorubicinol
CAS Number:
111865-30-6
IUPAC Name:
(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-iodo-6-methyloxan-2-yl]oxy-9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
InChI:
InChI=1S/C27H30INO10/c1-10-22(28)13(29)6-17(38-10)39-15-8-27(36,16(31)9-30)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15-17,22,30-31,33,35-36H,6-9,29H2,1-2H3/t10-,13-,15-,16?,17-,22+,27-/m0/s1
InChI Key:
KLVKZKZLMNCPHM-WTNDLEHGSA-N
Properties
Complexity:
940
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
655.091g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
655.438g/mol
Monoisotopic Mass:
655.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
189A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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