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2-{4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}-2-oxoethyl 2-hydroxybenzoate
14-salicyloylcarubicin · Benzoic acid, 2-hydroxy-, 2-[4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,7,12-tetrahydro-6,11-dioxo-2-naphthacenyl]-2-oxoethyl ester, (2S-cis)- (9CI)
![Molekülstruktur von 2-{4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}-2-oxoethyl 2-hydroxybenzoate](/img/chemical/159554.png)
Identifikatoren & physikalische Daten
| CAS No. | 116907-26-7 |
|---|---|
| Summenformel | C33H31NO13 |
| Durchschnittliche Molmasse | 649,605 g/mol |
| Monoisotopische Masse | 649,17954005 g/mol |
| SMILES | CC1OC(OC2CC(O)(C(=O)COC(=O)c3ccccc3O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(O)cccc2C4=O)CC(N)C1O |
| InChIKey | AJAHDRMPRTTZMX-UHFFFAOYSA-N |
| PubChem CID | 159554 |
| DTXSID | DTXSID30922206 |
Chemische & physikalische Eigenschaften
| Siedepunkt | 877.6±65.0 °C(Predicted) |
|---|---|
| Dichte | 1.67±0.1 g/cm3(Predicted) |
| pKa (Säurekonstante) | 6.45±0.60(Predicted) |