5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(1-((1-ethylpentylidene)hydrazono)ethyl)-1-methoxy-6,8,11-trihydroxy-, monohydrochloride (8S-cis)-
Basic information
- CAS
128948-03-8- Standard SMILES
CCCC/C(CC)=N/N=C(\C)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(N)C(O)C(C)O2)C1)C(=O)c1c(OC)cccc1C3=O.Cl- InChIKey
AJXLOFGPKMDGFD-PYDPOYFBSA-N- Molecular formula
- C34H44ClN3O9
- Average molar mass
- 674.2 g/mol
- Monoisotopic mass
- 673.2766077
Names & identifiers
- Preferred name
- 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(1-((1-ethylpentylidene)hydrazono)ethyl)-1-methoxy-6,8,11-trihydroxy-, monohydrochloride (8S-cis)-
- IUPAC
- 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-[(E)-N-[(E)-heptan-3-ylideneamino]-C-methylcarbonimidoyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Names & synonyms
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(1-((1-ethylpentylidene)hydrazono)ethyl)-1-methoxy-6,8,11-trihydroxy-, monohydrochloride (8S-cis)-128948-03-8RefChem:1072094Rubomycin 13-(heptylidene-3'')hydrazone hydrochloride
Database identifiers
- CAS
128948-03-8- PubChem CID
- 9588992
Properties
Computed structural properties
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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