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121071-90-7 | iodomycin
CAS No: 121071-90-7 Catalog No: AG009QKG MDL No:
Product Description
Catalog Number:
AG009QKG
Chemical Name:
iodomycin
CAS Number:
121071-90-7
IUPAC Name:
N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-3-(4-hydroxy-3-iodophenyl)propanamide
InChI:
InChI=1S/C36H36INO12/c1-15-31(42)21(38-25(41)10-8-17-7-9-22(40)20(37)11-17)12-26(49-15)50-24-14-36(47,16(2)39)13-19-28(24)35(46)30-29(33(19)44)32(43)18-5-4-6-23(48-3)27(18)34(30)45/h4-7,9,11,15,21,24,26,31,40,42,44,46-47H,8,10,12-14H2,1-3H3,(H,38,41)
InChI Key:
YHTMSGVYYROIIF-UHFFFAOYSA-N
Properties
Complexity:
1300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
801.128g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
801.583g/mol
Monoisotopic Mass:
801.128g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
209A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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