Basic information
- CAS
70844-21-2- Standard SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(O)CO)CC3OC1CC(N2CCCCC2)C(O)C(C)O1- InChIKey
VDSFIQDJZXVZTH-UHFFFAOYSA-N- Molecular formula
- C32H39NO11
- Average molar mass
- 613.7 g/mol
- Monoisotopic mass
- 613.25231106
Names & identifiers
- Preferred name
- 5,12-Naphthacenedione, 8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-
- IUPAC
- 9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-7-(5-hydroxy-6-methyl-4-piperidin-1-yloxan-2-yl)oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Names & synonyms
70844-21-2NSC2719375,12-Naphthacenedione, 8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-N,N-Pentamethylene-13-dihydroadriamycin hydrochlorideDTXSID50991116NSC-2719378-(1,2-Dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione (8S-cis)-71048-80-13-(1,2-Dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(piperidin-1-yl)hexopyranoside3-(1,2-dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-piperidin-1-ylhexopyranoside5, 8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-(1-piperidinyl)-.alpha.-L-lyxo-hexopyranosyl]oxy]-, hydrochloride
Database identifiers
- CAS
70844-21-2、71048-80-1- PubChem CID
- 153290
- DTXSID
DTXSID50991116
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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