5-Chloromethyleosin

HCID 196884

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Basic information

CAS: 136832-64-9
Standard SMILES: CC(=O)Oc1c(Br)cc2c(c1Br)Oc1c(cc(Br)c(OC(C)=O)c1Br)C21OC(=O)c2cc(CCl)ccc21
InChIKey: JWUXYHGBXYHBPQ-UHFFFAOYSA-N
Molecular formula: C25H13Br4ClO7
Average molar mass: 780.4 g/mol
Monoisotopic mass: 775.70833

Names & identifiers

Preferred name: 5-Chloromethyleosin
IUPAC: [6'-acetyloxy-2',4',5',7'-tetrabromo-5-(chloromethyl)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate
English name: 5-CHLOROMETHYLEOSIN DIACETATE
Molecular formula: C25H13Br4ClO7
Molecular weight: 780.44

Names & synonyms

5-Chloromethyleosin136832-64-9CMEDADTXSID50159971RefChem:102389DTXCID8082462[6'-acetyloxy-2',4',5',7'-tetrabromo-5-(chloromethyl)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate5-Chloromethyleosin diacetate[6\'-acetyloxy-2\',4\',5\',7\'-tetrabromo-5-(chloromethyl)-3-oxospiro[2-benzofuran-1,9\'-xanthene]-3\'-yl] acetate2',4',5',7'-Tetrabromo-5-(chloromethyl)-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthene]-3',6'-diyl diacetateYellowGreenCMEDASpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-bis(acetyloxy)-2',4',5',7'-tetrabromo-5-(chloromethyl)-

Database identifiers

CAS: 136832-64-9
PubChem CID: 196884
DTXSID: DTXSID50159971

Properties

Computed structural properties

XLogP: 6.8
Topological polar surface area: 88.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 37
Formal charge: 0
Complexity: 891

Chemistry & industry

Suppliers2 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]

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