3,3'-Biplumbagin
Basic information
- CAS
34341-27-0- Standard SMILES
CC1=C(C2=C(C)C(=O)c3cccc(O)c3C2=O)C(=O)c2c(O)cccc2C1=O- InChIKey
WZPJBVWIDHOZAY-UHFFFAOYSA-N- Molecular formula
- C22H14O6
- Average molar mass
- 374.3 g/mol
- Monoisotopic mass
- 374.07903816
Overview
3,3'-Biplumbagin has been reported in Diospyros maritima, Aristea ecklonii, and Diospyros kaki with data available.
Names & identifiers
- Preferred name
- 3,3'-Biplumbagin
- IUPAC
- 5-hydroxy-3-(8-hydroxy-3-methyl-1,4-dioxonaphthalen-2-yl)-2-methylnaphthalene-1,4-dione
- English name
- 3,3'-biplumbagin
- Molecular formula
- C22H14O6
- Molecular weight
- 374.34
Names & synonyms
3,3'-Biplumbagin34341-27-05-hydroxy-3-(8-hydroxy-3-methyl-1,4-dioxonaphthalen-2-yl)-2-methylnaphthalene-1,4-dioneDTXSID90187915(2,2'-Binaphthalene)-1,1',4,4'-tetrone, 8,8'-dihydroxy-3,3'-dimethyl-RefChem:90658DTXCID501104063,3/'-BiplumbaginGLXC-03955DB-2293858,8'-Dihydroxy-3,3'-dimethyl[2,2'-binaphthalene]-1,1',4,4'-tetrone5-hydroxy-3-(8-hydroxy-3-methyl-1,4-dioxo-2-naphthyl)-2-methyl-naphthalene-1,4-dione
Show more names
[2,2'-Binaphthalene]-1,1',4,4'-tetrone, 8,8'-dihydroxy-3,3'-dimethyl-
5-Hydroxy-3-(8-hydroxy-3-methyl-1,4-dioxonaphthalen-2-yl)-2-methylnaphthalene-1,4-dione; 8,8'-Dihydroxy-3,3'-dimethyl-(2,2'-Binaphthalene)-1,1',4,4'-tetrone
Database identifiers
- CAS
34341-27-0- PubChem CID
- 183757
- DTXSID
DTXSID90187915- Nikkaji
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 777
Physicochemical properties
- Melting point
- 212 · 212-214 °C(Solv: chloroform (67-66-3); hexane (110-54-3))
- Boiling point
- 568.9 · 568.9±50.0 °C(Predicted)
- Density
- 1.512 · 1.512±0.06 g/cm3(Predicted)
- pka
- 6.08 · 6.08±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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