S-[2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] butanethioate
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![S-[2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] butanethioate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7bd092f40e1f433aab82b05f9b7187c0.png "S-[2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] butanethioate")
S-[2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] butanethioate
structure -
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CAS No:
101980-75-0
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Formula:
C31H35NO11S
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Chemical Name:
S-[2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] butanethioate
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Synonyms:
Adriamycin 14-thiovalerate;101980-75-0;DTXSID00906957;Butanethioic acid, S-(2-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)-2-oxoethyl) ester, (2S-cis)-;S-(2-{4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}-2-oxoethyl) butanethioate
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CAS No:
S-[2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] butanethioate Basic Attributes
629.7 g/mol
629.19308211 g/mol
Computed Properties
Molecular Weight:629.7
XLogP3:2.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:9
Exact Mass:629.19308211
Monoisotopic Mass:629.19308211
Topological Polar Surface Area:228
Heavy Atom Count:44
Complexity:1120
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Learn More Other Chemicals
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S-[2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] ethanethioate
102045-67-0
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S-Methyl butanethioate
2432-51-1
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S-[2-(Dimethylamino)ethyl] butanethioate
63512-62-9
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S-[2-(2-chloroethylsulfanyl)ethyl] butanethioate Formula
90202-39-4
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S-[2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] pentanethioate Formula
101980-76-1
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S-[5-[(4-chlorophenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl] butanethioate Formula
86911-00-4
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S-[2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] propanethioate Structure
101980-74-9
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