(3,4,5-Triacetyloxy-6-naphthalen-2-ylsulfanyloxan-2-yl)methyl acetate

HCID 345993

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Basic information

CAS: 7464-38-2
Standard SMILES: CC(=O)OCC1OC(Sc2ccc3ccccc3c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIKey: ATJSIKOSXMUARL-UHFFFAOYSA-N
Molecular formula: C24H26O9S
Average molar mass: 490.5 g/mol
Monoisotopic mass: 490.12975358

Names & identifiers

Preferred name: (3,4,5-Triacetyloxy-6-naphthalen-2-ylsulfanyloxan-2-yl)methyl acetate
IUPAC: (3,4,5-triacetyloxy-6-naphthalen-2-ylsulfanyloxan-2-yl)methyl acetate

Names & synonyms

7464-38-2NSC403982(3,4,5-triacetyloxy-6-naphthalen-2-ylsulfanyloxan-2-yl)methyl acetateDTXSID20323425ATJSIKOSXMUARL-UHFFFAOYSA-NNSC-403982Naphthalen-2-yl 2,3,4,6-tetra-O-acetyl-1-thiohexopyranoside

Database identifiers

CAS: 7464-38-2
PubChem CID: 345993
DTXSID: DTXSID20323425

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 140 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 10
Rotatable bonds: 11
Heavy atoms: 34
Formal charge: 0
Complexity: 757

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