Basic information
- CAS
4371-20-4- Standard SMILES
Oc1cc(O)c(-c2c(O)cc(O)cc2O)c(O)c1- InChIKey
PHDPNHJFOMABOA-UHFFFAOYSA-N- Molecular formula
- C12H10O6
- Average molar mass
- 250.2 g/mol
- Monoisotopic mass
- 250.04773803
Overview
difucol has been reported in Himanthalia elongata, Analipus japonicus, and other organisms with data available.
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-2,2',4,4',6,6'-hexol
- IUPAC
- 2-(2,4,6-trihydroxyphenyl)benzene-1,3,5-triol
- English name
- DIFUCOL
- Molecular formula
- C12H10O6
- Molecular weight
- 250.2
Names & synonyms
DIFUCOL4371-20-4S9H4QFX4ME2-(2,4,6-trihydroxyphenyl)benzene-1,3,5-triolDTXSID701030413[1,1'-Biphenyl]-2,2',4,4',6,6'-hexol(1,1'-Biphenyl)-2,2',4,4',6,6'-hexolRefChem:1049171DTXCID701515504[1,1'-Biphenyl]-2,2',4,4',6,6'-hexaol2,2'-BiphloroglucinolSCHEMBL321298
Show more names
Macitentan Impurity 45Strontium Ranelate Impurity 11
2,2',4,4',6,6'-BiphenylhexolFD182393Q5275459
Database identifiers
- CAS
4371-20-4- PubChem CID
- 433697
- DTXSID
DTXSID701030413- UNII
- S9H4QFX4ME
- Nikkaji
- J451.932I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 544.1 · 544.1±45.0 °C(Predicted)
- Density
- 1.721 · 1.721±0.06 g/cm3(Predicted)
- pka
- 8.11 · 8.11±0.45(Predicted)
- FDA UNII
- 9 H4QFX4ME · S9H4QFX4ME
Chemistry & industry
Suppliers3 total
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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