4-Chloro-7-(2-c-methyl-beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidine
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Basic information
- CAS
443642-33-9- Standard SMILES
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc2c(Cl)ncnc21- InChIKey
YNVCLSAXHSBSTK-GAJNKVMBSA-N- Molecular formula
- C12H14ClN3O4
- Average molar mass
- 299.71 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-7-(2-c-methyl-beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidine
- IUPAC
- (2R,3R,4R,5R)-2-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
- English name
- 4-Chloro-7-(2-C-methyl-beta-D-ribofuranosyl)-7H-Pyrrolo[2,3-d]pyrimidine
- Molecular formula
- C12H14ClN3O4
- Molecular weight
- 299.71026
Names & synonyms
443642-33-94-chloro-7-(2-c-methyl-beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidine(2R,3R,4R,5R)-2-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyltetrahydrofuran-3,4-diol(2R,3R,4R,5R)-2-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol4-Chloro-7-(2-C-methyl-?-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine4-CHLORO-7-(2-C-METHYL-B-D-RIBOFURANOSYL)-7H-PYRROLO[2,3-D]PYRIMIDINEorb1908870SCHEMBL1738408TNU0102YNVCLSAXHSBSTK-GAJNKVMBSA-N(2R,3R,4R,5R)-2-{4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-5-(hydroxymethyl)-3-methyloxolane-3,4-diolNC14084
Show more names
4-Chloro-7-(2-C-methyl-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine4-Chloro-7-(2-β-C-methyl-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-7-(2-C-methyl-β-D-ribofuranosyl)-4-Chloro-7-(2--C-methyl-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d] pyrimidine4-Chloro-7-(2-b-C-methyl-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d] pyrimidine
4-Chloro-7-(2-beta-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d] pyrimidineDA-49702F12817
Database identifiers
- CAS
443642-33-9
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Melting point
- 158 · 158-160 °C(Solv: water (7732-18-5))
- Boiling point
- 570.5 · 570.5±50.0 °C(Predicted)
- Density
- 1.73 · 1.73±0.1 g/cm3(Predicted)
- pka
- 12.46 · 12.46±0.70(Predicted)
Chemistry & industry
Applications
Uses4-Chloro-7-(2-C-methyl-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine can be useful in structure-activity relationship of heterobase-modified 2'-C-Me ribonucleosides as inhibitors of hepatitis C virus RNA replication.
Related reactions
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Compound notes
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