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106199-79-5 | 2-iodomorphine
CAS No: 106199-79-5 Catalog No: AG009QKC MDL No:
Product Description
Catalog Number:
AG009QKC
Chemical Name:
2-iodomorphine
CAS Number:
106199-79-5
IUPAC Name:
(4R,4aR,7S,7aR)-10-(125I)iodanyl-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
InChI:
InChI=1S/C17H18INO3/c1-19-5-4-17-9-2-3-12(20)16(17)22-15-13(17)8(7-11(9)19)6-10(18)14(15)21/h2-3,6,9,11-12,16,20-21H,4-5,7H2,1H3/t9-,11+,12-,16-,17?/m0/s1/i18-2
InChI Key:
KGHKWHWOWSDPGO-GKTBWDLASA-N
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
409.033g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
1
Molecular Weight:
409.24g/mol
Monoisotopic Mass:
409.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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