2-(7-Aminotriazolo[4,5-d]pyrimidin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Basic information
- CAS
28279-62-1- Standard SMILES
Nc1ncnc2nn(C3OC(CO)C(O)C3O)nc12- InChIKey
RDPTWPVOUPSVOZ-UHFFFAOYSA-N- Molecular formula
- C9H12N6O4
- Average molar mass
- 268.23 g/mol
- Monoisotopic mass
- 268.09200289
Names & identifiers
- Preferred name
- 2-(7-Aminotriazolo[4,5-d]pyrimidin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-(7-aminotriazolo[4,5-d]pyrimidin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- 2H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine,2-b-D-ribofuranosyl-
- Molecular formula
- C9H12N6O4
- Molecular weight
- 268.23
Names & synonyms
28279-62-1NSC1331182-(7-aminotriazolo[4,5-d]pyrimidin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diolMLS0029201907-Amino-2-beta-D-ribofuranosyl-v-triazolo[4,5-d]pyrimidine2H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine, 2-beta-D-ribofuranosyl-NSC-1331182-pentofuranosyl-2h-[1,2,3]triazolo[4,5-d]pyrimidin-7-amineCHEMBL1893228DTXSID902998402H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine, 2-.beta.-D-ribofuranosyl-NCI60_000730
Show more names
7-Amino-2-β-D-ribofuranosyl-v-triazolo[4,5-d]pyrimidine2H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine,2-b-D-ribofuranosyl-2H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine, 2-β-D-ribofuranosyl-
SMR001797787{2H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine,} 2--D-ribofuranosyl-2H-1,3-Triazolo[4,5-d]pyrimidin-7-amine, 2-.beta.-D-ribofuranosyl-
Database identifiers
- CAS
28279-62-1- PubChem CID
- 280898
- DTXSID
DTXSID90299840- ChEMBL
CHEMBL1893228
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Boiling point
- 679.9 · 679.9±65.0 °C(Predicted)
- Density
- 2.29 · 2.29±0.1 g/cm3(Predicted)
- pka
- 12.76 · 12.76±0.70(Predicted)
Chemistry & industry
Applications
Uses7-Amino-2-β-D-ribofuranosyl-v-triazolo[4,5-d]pyrimidine was used in the study for synthesis and antitumor activity of certain 3-β-D-ribofuranosyl- and 2''-deoxy-D-ribofuranosyl-v-triazolo[4,5-d]pyrimidines.
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Compound notes
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