Lapachol glucoside tetraacetate

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Basic information

CAS: 57093-27-3
Standard SMILES: CC(=O)OCC1OC(OC2=C(CC=C(C)C)C(=O)c3ccccc3C2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIKey: FMNSNVSJQBSOAM-UHFFFAOYSA-N
Molecular formula: C29H32O12
Average molar mass: 572.6 g/mol
Monoisotopic mass: 572.18937645

Names & identifiers

Preferred name: Lapachol glucoside tetraacetate
IUPAC: [3,4,5-triacetyloxy-6-[3-(3-methylbut-2-enyl)-1,4-dioxonaphthalen-2-yl]oxyoxan-2-yl]methyl acetate

Names & synonyms

NSC285109Lapachol glucoside tetraacetate57093-27-3NSC-285109SCHEMBL13402793DTXSID909725601, 2-(3-methyl-2-butenyl)-3-[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]-[3,4,5-triacetoxy-6-[[3-(3-methylbut-2-enyl)-1,4-dioxo-2-naphthyl]oxy]tetrahydropyran-2-yl]methyl acetate2-(3-Methyl-2-butenyl)-3-[(2,3,4,-6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxyl]-1,4-naphthalenedione3-(3-Methylbut-2-en-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl 2,3,4,6-tetra-O-acetylhexopyranoside

Database identifiers

CAS: 57093-27-3
PubChem CID: 323592
DTXSID: DTXSID90972560

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 158 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 12
Rotatable bonds: 13
Heavy atoms: 41
Formal charge: 0
Complexity: 1,130

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Compound notes

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