3-[3,4-Dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrrole-2,5-dione

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Basic information

CAS: 69100-09-0
Standard SMILES: O=C1C=C(C2OC(CI)C(O)C2O)C(=O)N1
InChIKey: OWTVGTZCOYEUQF-UHFFFAOYSA-N
Molecular formula: C9H10INO5
Average molar mass: 339.08 g/mol
Monoisotopic mass: 338.96037

Names & identifiers

Preferred name: 3-[3,4-Dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrrole-2,5-dione
IUPAC: 3-[3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrrole-2,5-dione

Names & synonyms

NSC24613669100-09-03-[3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrrole-2,5-dioneDTXSID40311869NSC-2461363-(3,4-Dihydroxy-5-iodomethyl-tetrahydro-furan-2-yl)-pyrrole-2,5-dione3-[3,4-dihydroxy-5-(iodomethyl)tetrahydrofuran-2-yl]pyrrole-2,5-dione2,5-Anhydro-1-deoxy-5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)-1-iodopentitol

Database identifiers

CAS: 69100-09-0
PubChem CID: 317013
DTXSID: DTXSID40311869

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 95.9 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 369

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Compound notes

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