6-Chloro-9-(2,3,5-tri-O-benzoyl-2-C-methyl-beta-D-ribofuranosyl)-9H-purine
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Basic information
- CAS
205171-04-6- Standard SMILES
C[C@@]1(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1cnc2c(Cl)ncnc21- InChIKey
LSZDBTSFULCQHJ-KHWZNAFNSA-N- Molecular formula
- C32H25ClN4O7
- Average molar mass
- 613 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-9-(2,3,5-tri-O-benzoyl-2-C-methyl-beta-D-ribofuranosyl)-9H-purine
- IUPAC
- [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(6-chloropurin-9-yl)-4-methyloxolan-2-yl]methyl benzoate
- English name
- 6-Chloro-9-(2,3,5-tri-O-benzoyl-2-C-methyl-beta-D-ribofuranosyl)-9H-purine
- Molecular formula
- C32H25ClN4O7
- Molecular weight
- 613.02
Names & synonyms
205171-04-66-Chloro-9-(2,3,5-tri-O-benzoyl-2-C-methyl-beta-D-ribofuranosyl)-9H-purine[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(6-chloropurin-9-yl)-4-methyloxolan-2-yl]methyl benzoate(2R,3R,4R,5R)-5-((Benzoyloxy)methyl)-2-(6-chloro-9H-purin-9-yl)-3-methyltetrahydrofuran-3,4-diyl dibenzoateorb1908225SCHEMBL1798074TNU0772(2R,3R,4R,5R)-4-(benzoyloxy)-5-[(benzoyloxy)methyl]-2-(6-chloro-9H-purin-9-yl)-3-methyloxolan-3-yl benzoate6-Chloro-9-(2,3,5-tri-O-benzoyl-2-C-methyl-|A-D-ribofuranosyl)-9H-purineDA-70299F12918(2R,3R,4R,5R)-5-((Benzoyloxy)methyl)-2-(6-chloro-9H-purin-9-yl)-3-methyltetrahydrofuran-3,4-diyldibenzoate
Show more names
6-Chloro-9-(2,3,5-tri-O-benzoyl-2-C-methyl-β-D-ribofuranosyl)-9H-purine6-Chloro-9-(2,3,5-tri-O-benzoyl-2-b-C-methyl-β-D-ribofuranosyl)-9H-purine6-Chloro-9-(2,3,5-tri-O-benzoyl-2-β-C-methyl-β-D-ribofuranosyl)-9H-purine9H-Purine, 6-chloro-9-(2,3,5-tri-O-benzoyl-2-C-methyl-β-D-ribofuranosyl)-
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,020
Physicochemical properties
- Boiling point
- 757 · 757.0±70.0 °C(Predicted)
- Density
- 1.41 · 1.41
- pka
- 0.76 · 0.76±0.10(Predicted)
Chemistry & industry
Applications
Uses6-Chloro-9-(2,3,5-tri-O-benzoyl-2-C-methyl-beta-D-ribofuranosyl)-9H-purine dibenzoate is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
Upstream & downstream products
Upstream raw materials
Downstream products
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Compound notes
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