[4-bromo-3-(2,3-dihydro-benzo[1,4]dioxin-6-ylmethyl)-phenyl]-((3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-5-yl)-methanone

HCID 70873244

Notes Reactions

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Basic information

Standard SMILES: CC1(C)O[C@@H]2O[C@@H](C(=O)c3ccc(Br)c(Cc4ccc5c(c4)OCCO5)c3)[C@@H](O)[C@@H]2O1
InChIKey: JANLSVHKEVKUBB-MLNNCEHLSA-N
Molecular formula: C23H23BrO7
Average molar mass: 491.3 g/mol

Names & identifiers

Preferred name: [4-bromo-3-(2,3-dihydro-benzo[1,4]dioxin-6-ylmethyl)-phenyl]-((3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-5-yl)-methanone
IUPAC: [(3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[4-bromo-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)phenyl]methanone

Names & synonyms

SCHEMBL13278598JANLSVHKEVKUBB-MLNNCEHLSA-N[4-bromo-3-(2,3-dihydro-benzo[1,4]dioxin-6-ylmethyl)-phenyl]-((3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-5-yl)-methanone

Database identifiers

PubChem CID: 70873244

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 83.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 31
Formal charge: 0
Complexity: 672

Related reactions

1 records

New reaction record

HRID 1022467As productuspto-grants-2014_05

Compound notes

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