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Antineoplastic-298837

HCID 326776
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Basic information

CAS
76843-72-6
Standard SMILES
CCC[As](C)SCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIKey
IDMKYCNSFZQITI-UHFFFAOYSA-N
Molecular formula
C18H29AsO9S
Average molar mass
496.4 g/mol
Monoisotopic mass
496.074823

Names & identifiers

Preferred name
Antineoplastic-298837
IUPAC
[4,5,6-triacetyloxy-2-[[methyl(propyl)arsanyl]sulfanylmethyl]oxan-3-yl] acetate

Names & synonyms

76843-72-6ANTINEOPLASTIC-298837NSC298837DTXSID60316038NSC-2988371,2,3,4-Tetra-O-acetyl-6-S-[methyl(propyl)arsanyl]-6-thiohexopyranose

Database identifiers

CAS
76843-72-6
PubChem CID
326776
DTXSID
DTXSID60316038

Properties

Computed structural properties

Topological polar surface area
140 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
10
Rotatable bonds
13
Heavy atoms
29
Formal charge
0
Complexity
600

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