5,12-Naphthacenedione, 8-acetyl-10-((3-(cyclohexylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-
Basic information
- CAS
79898-09-2- Standard SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(NC2CCCCC2)C(O)C(C)O1.Cl- InChIKey
RNGFHXJCATWISP-UHFFFAOYSA-N- Molecular formula
- C33H40ClNO10
- Average molar mass
- 646.1 g/mol
- Monoisotopic mass
- 645.2340742
Names & identifiers
- Preferred name
- 5,12-Naphthacenedione, 8-acetyl-10-((3-(cyclohexylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-
- IUPAC
- 9-acetyl-7-[4-(cyclohexylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
- English name
- 5,12-Naphthacenedione, 8-acetyl-10-[[3-(cyclohexylamino)-2,3, 6-trideo xy-.alpha.-L-lyxo-hexopyranosyl]oxy]-7,8,9, 10-tetrahydro-6,8,11-trihy droxy-1-methoxy-, hydrochloride, (8S-cis)-
- Molecular formula
- C33H40ClNO10
- Molecular weight
- 646.1244
Names & synonyms
79898-09-2NSC 3190945,12-Naphthacenedione, 8-acetyl-10-((3-(cyclohexylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-DTXSID301000832NSC319094NSC-3190948-Acetyl-10-((3-(cyclohexylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride, (8S-cis)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-(cyclohexylamino)-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)5, 8-acetyl-10-[[3-(cyclohexylamino)-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-5,12-Naphthacenedione, 8-acetyl-10-[[3-(cyclohexylamino)-2,3, 6-trideo xy-.alpha.-L-lyxo-hexopyranosyl]oxy]-7,8,9, 10-tetrahydro-6,8,11-trihy droxy-1-methoxy-, hydrochloride, (8S-cis)-
Properties
Computed structural properties
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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