Basic information
- CAS
20516-12-5- Standard SMILES
O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)CCCC3OC1OC(CO)C(O)C(O)C1O- InChIKey
LZBRZZGMLLMEKI-UHFFFAOYSA-N- Molecular formula
- C24H24O10
- Average molar mass
- 472.4 g/mol
- Monoisotopic mass
- 472.13694696
Names & identifiers
- Preferred name
- 6,11-Dihydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8,9,10-tetrahydrotetracene-5,12-dione
- IUPAC
- 6,11-dihydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8,9,10-tetrahydrotetracene-5,12-dione
Names & synonyms
20516-12-5NSC1149086,11-dihydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8,9,10-tetrahydrotetracene-5,12-dioneDTXSID60329320NSC-1149085,12-Dihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl hexopyranoside
Database identifiers
- CAS
20516-12-5- PubChem CID
- 419441
- DTXSID
DTXSID60329320
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 790
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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