Methylrhodomelol

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Basic information

CAS: 100676-08-2
Standard SMILES: COC1(Cc2cc(O)c(O)c(Br)c2Br)C(=O)OC2C(O)COC21O
InChIKey: QUEJCPPCMOGGFC-UHFFFAOYSA-N
Molecular formula: C14H14Br2O8
Average molar mass: 470.06 g/mol
Monoisotopic mass: 467.90554

Names & identifiers

Preferred name: Methylrhodomelol
IUPAC: 6-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-3,6a-dihydroxy-6-methoxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one

Names & synonyms

MethylrhodomelolDTXSID20326779100676-08-26-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-3,6a-dihydroxy-6-methoxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one(3S,3aR,6S,6aS)-6-((2,3-dibromo-4,5-dihydroxyphenyl)methyl)-3,6a-dihydroxy-6-methoxy-3,3a-dihydro-2H-furo(3,2-b)furan-5-one(3S,3aR,6S,6aS)-6-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-3,6a-dihydroxy-6-methoxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one6-((2,3-dibromo-4,5-dihydroxyphenyl)methyl)-3,6a-dihydroxy-6-methoxy-3,3a-dihydro-2H-furo(3,2-b)furan-5-oneRefChem:158301DTXCID60277892NSC615491Methyl rhodomelolNSC-615491

Show more names

3-[(2,3-Dibromo-4,5-dihydroxyphenyl)methyl]-3a,6-dihydroxy-3-methoxytetrahydrofuro[3,2-b]furan-2(3H)-one6-[(2,3-dibromo-4,5-dihydroxy-phenyl)methyl]-3,6a-dihydroxy-6-methoxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one

Database identifiers

CAS: 100676-08-2
PubChem CID: 357300
DTXSID: DTXSID20326779

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 126 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 521

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Compound notes

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