Iododoxorubicin

(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-iodo-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Also Known As: Iododoxorubicin|Iodorubicin|4'-iododoxorubicin|Iodo-Dox|4'-iododeoxyrubicin|4'-Deoxy-4'-iododoxorubicin|4'-Iodo-4'-deoxydoxorubicin|4'-deoxy-4'-IDX|4 -Iododoxorubicin|4 -Iododeoxyrubicin|I-DOX|4-iodo-4-deoxydoxorubicin|FCE 21954|DL-Alanine-2,3,3,3-d4|KST-1A8761|4 -Iodo-4 -deoxydoxorubicin|SID:134223146|33925-EP2275420A1|33925-EP2295055A2|33925-EP2295416A2|33925-EP2298748A2|33925-EP2298764A1|33925-EP2298765A1|33925-EP2305642A2|33925-EP2311453A1|5-(4-chlorophenyl)-3,4-dihydroxyfuran-2(5H)-one|WP 154;4'-Iodo-4'-deoxydoxorubicin; FCE 21954|(8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-iodo-6-methyltetrahydro-2H-pyran-2-yl]oxy}-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione|5,12-Naphthacenedione, 10-(((2R,4S,5S,6S)-4-aminotetrahydro-5-iodo-6-methyl-2H-pyran-2-yl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)-|(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-iodo-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione|5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((4-aminotetrahydro-5-iodo-6-methyl-2H-pyran-2-yl)oxy)-8-(hydroxyacetyl)-1-methoxy-6,8,11-trihydroxy-, (2R-(2-alpha(8S*,10S*),4-beta,5-beta,6-beta))-

Molecular Formula	C27H28INO10
Molecular Weight	653.0758 g/mol
LogP	1.44
Topological Polar Surface Area	185.84 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	5
Exact Mass	653.0758
Heavy Atoms	39
Complexity	1381.4

Chemical Identifiers

CAS Number	83997-75-5
SMILES	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)I