Basic information
- CAS
109485-64-5- Standard SMILES
CCCCC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(N)C(O)C(C)O2)C1)C(=O)c1ccccc1C3=O.Cl- InChIKey
UURZVEUAJLBIKP-UHFFFAOYSA-N- Molecular formula
- C29H34ClNO9
- Average molar mass
- 576 g/mol
- Monoisotopic mass
- 575.1922094
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4(O)-Daunosaminyl-2,4,5,12-tetrahydroxy-2-pentanoyl-1,2,3,4-tetrahydro-6,11-naphthacenedione
- IUPAC
- 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-pentanoyl-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
- English name
- 4(O)-daunosaminyl-2,4,5,12-tetrahydroxy-2-pentanoyl-1,2,3,4-tetrahydro-6,11-naphthacenedione
- Molecular formula
- C29H34ClNO9
- Molecular weight
- 576.03456
Names & synonyms
DATPN109485-64-54(O)-Daunosaminyl-2,4,5,12-tetrahydroxy-2-pentanoyl-1,2,3,4-tetrahydro-6,11-naphthacenedioneRefChem:911792DTXSID609112097-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(1-oxopentyl)-5,12-naphthacenedione hydrochloride, (7s-cis)-3,5,12-Trihydroxy-6,11-dioxo-3-pentanoyl-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)5,12-Naphthacenedione, 7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(1-oxopentyl)-, hydrochloride, (7s-cis)-
Database identifiers
- CAS
109485-64-5- PubChem CID
- 176124
- DTXSID
DTXSID60911209
Properties
Computed structural properties
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 959
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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