3-(2,3-Dibromo-4,5-dihydroxy-benzyl)-3,3a,6-trihydroxy-tetrahydro-furo[3,2-b]furan-2-one
Basic information
- CAS
100676-10-6- Standard SMILES
O=C1OC2C(O)COC2(O)C1(O)Cc1cc(O)c(O)c(Br)c1Br- InChIKey
KYQGDJSJCJZIAX-UHFFFAOYSA-N- Molecular formula
- C13H12Br2O8
- Average molar mass
- 456.04 g/mol
- Monoisotopic mass
- 453.88989
Names & identifiers
- Preferred name
- 3-(2,3-Dibromo-4,5-dihydroxy-benzyl)-3,3a,6-trihydroxy-tetrahydro-furo[3,2-b]furan-2-one
- IUPAC
- 6-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-3,6,6a-trihydroxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
Names & synonyms
NSC615490CHEMBL368123NSC-615490100676-10-63-(2,3-Dibromo-4,5-dihydroxy-benzyl)-3,3a,6-trihydroxy-tetrahydro-furo[3,2-b]furan-2-oneRhodomelolDTXSID60326778BDBM50056941Furo[3, .beta.-D-threo-d-glycero-3-hexulo furanosonic acid deriv. (9CI) (+)-Rhodomelol.beta.-D-threo-D-glycero-3-Hexulofuranosonic acid,3-dibromo-4,5-dihydroxyphenyl)methyl],.gamma.-lactone3-[(2,3-Dibromo-4,5-dihydroxyphenyl)methyl]-3,3a,6-trihydroxytetrahydrofuro[3,2-b]furan-2(3H)-one6-[(2,3-dibromo-4,5-dihydroxy-phenyl)methyl]-3,6,6a-trihydroxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
Database identifiers
- CAS
100676-10-6- PubChem CID
- 357299
- DTXSID
DTXSID60326778- ChEMBL
CHEMBL368123
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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