DiOAcPhthNarabdT

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Basic information

CAS: 133488-32-1
Standard SMILES: CC(=O)OC[C@@H](OC(C)=O)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N1C(=O)c2ccccc2C1=O
InChIKey: WNXAFBFUDGBOTL-MANSERQUSA-N
Molecular formula: C23H23N3O9
Average molar mass: 485.4 g/mol
Monoisotopic mass: 485.14342932

Names & identifiers

Preferred name: DiOAcPhthNarabdT
IUPAC: [(2R)-2-acetyloxy-2-[(2S,3S,5R)-3-(1,3-dioxoisoindol-2-yl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl] acetate

Names & synonyms

DiOAcPhthNarabdT133488-32-1beta-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)-thymine2,4(1H,3H)-Pyrimidinedione, 1-(5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-beta-D-ribo-hexofuranosyl)-5-methyl-.beta.-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)-thymine[(2R)-2-acetoxy-2-[(2S,3S,5R)-3-(1,3-dioxoisoindolin-2-yl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]ethyl] acetate2,4(1H,3H)-Pyrimidinedione, 1-[5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-b-D-ribo-hexofuranosyl]-5-methyl-

Database identifiers

CAS: 133488-32-1
PubChem CID: 452884
Nikkaji: J385.259H

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 149 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 8
Heavy atoms: 35
Formal charge: 0
Complexity: 969

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Compound notes

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