Antineoplastic-298839

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Basic information

CAS: 76843-70-4
Standard SMILES: CCC[As](CCC)SCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIKey: SCBYLJSKWCXHGQ-UHFFFAOYSA-N
Molecular formula: C20H33AsO9S
Average molar mass: 524.5 g/mol
Monoisotopic mass: 524.106123

Names & identifiers

Preferred name: Antineoplastic-298839
IUPAC: [4,5,6-triacetyloxy-2-(dipropylarsanylsulfanylmethyl)oxan-3-yl] acetate

Names & synonyms

76843-70-4ANTINEOPLASTIC-298839NSC319984ANTINEOPLASTIC-319984DTXSID80998158NSC298839NSC-298839NSC-31998478478-72-51,2,3,4-Tetra-O-acetyl-6-S-(dipropylarsanyl)-6-thiohexopyranose

Database identifiers

CAS: 76843-70-4、78478-72-5
PubChem CID: 326778
DTXSID: DTXSID80998158

Properties

Computed structural properties

Topological polar surface area: 140 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 10
Rotatable bonds: 15
Heavy atoms: 31
Formal charge: 0
Complexity: 624

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Compound notes

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