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

Modify Date: 2025-10-01 19:14:33

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 Structure
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 structure
Common 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] pentanethioate
CAS Number 101980-76-1 Molecular Weight 643.70100
Density 1.49g/cm3 Boiling Point 832.3ºC at 760 mmHg
Molecular Formula C32H37NO11S Melting Point N/A
MSDS N/A Flash Point 457.1ºC

 Names

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] pentanethioate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.49g/cm3
Boiling Point 832.3ºC at 760 mmHg
Molecular Formula C32H37NO11S
Molecular Weight 643.70100
Flash Point 457.1ºC
Exact Mass 643.20900
PSA 228.21000
LogP 3.15930
Vapour Pressure 2.29E-29mmHg at 25°C
Index of Refraction 1.673
InChIKey MILKFEGXZHGXCC-UHFFFAOYSA-N
SMILES CCCCC(=O)SCC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(N)C(O)C(C)O2)C1)C(=O)c1c(OC)cccc1C3=O

 Synonyms

Adriamycin 14-thiobutyrate
adriamycin 14-thiopropionate
adriamycin 14-thiovalerate
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