N-[(2S,3S,4S,6R)-6-[[(1S,3S)-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]-2,2,2-trifluoroacetamide structure
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Common Name | N-[(2S,3S,4S,6R)-6-[[(1S,3S)-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]-2,2,2-trifluoroacetamide | ||
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| CAS Number | 26388-52-3 | Molecular Weight | 623.52800 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C29H28F3NO11 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | N-[(2S,3S,4S,6R)-6-[[(1S,3S)-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]-2,2,2-trifluoroacetamide |
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| Synonym | More Synonyms |
| Molecular Formula | C29H28F3NO11 |
|---|---|
| Molecular Weight | 623.52800 |
| Exact Mass | 623.16100 |
| PSA | 192.41000 |
| LogP | 2.58900 |
| Vapour Pressure | 3.15E-28mmHg at 25°C |
| InChIKey | VOASREXNXKOKBP-HWJSKKJZSA-N |
| SMILES | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(NC(=O)C(F)(F)F)C(O)C(C)O1 |
| Precursor 0 | |
|---|---|
| DownStream 2 | |
| N-(Trifluoroacetyl)daunomycin |
| 3'-N-trifluoroacetyldaunorubicin |
| N-(Trifluoroacetyl)daunorubicin |
| (1s,3s)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-|A-l-lyxo-hexopyranoside |
| Trifluoroacetyldaunomycin |