4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Basic information
- CAS
65562-55-2- Standard SMILES
C[C@H]1O[C@@H](n2cc(C#N)c3c(N)ncnc32)[C@H](O)[C@@H]1O- InChIKey
FONCIRHYMMLGTI-JJNLEZRASA-N- Molecular formula
- C12H13N5O3
- Average molar mass
- 275.26 g/mol
- Monoisotopic mass
- 275.10183929
Names & identifiers
- Preferred name
- 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
- IUPAC
- 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
- English name
- 5'-deoxytoyocamycin
- Molecular formula
- C12H13N5O3
- Molecular weight
- 275.27
Names & synonyms
65562-55-2CHEMBL993884-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrileSCHEMBL6877410DTXSID60984150BDBM500908614-Amino-7-(5-deoxy-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile4-Amino-7-(5-deoxypentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile7H-Pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 4-amino-7-(5-deoxy-beta-D-ribofuranosyl)-4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile4-amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile4-Amino-7-(3,4-dihydroxy-5-methyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Show more names
5'-deoxytoyocamycin4-Amino-7-(5-deoxy-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-7-(5-deoxy-β-D-ribofuranosyl)-
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Boiling point
- 644.3 · 644.3±55.0 °C(Predicted)
- Density
- 1.78 · 1.78±0.1 g/cm3(Predicted)
- pka
- 12.48 · 12.48±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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