2-(2-Chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Basic information
- CAS
5466-11-5- Standard SMILES
OCC1OC(n2cnc3cnc(Cl)nc32)C(O)C1O- InChIKey
DXGGYSNDZSUEHC-UHFFFAOYSA-N- Molecular formula
- C10H11ClN4O4
- Average molar mass
- 286.67 g/mol
- Monoisotopic mass
- 286.0468825
Names & identifiers
- Preferred name
- 2-(2-Chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-(2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- 2-(2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- Molecular formula
- C10H11ClN4O4
- Molecular weight
- 286.67
Names & synonyms
5466-11-52-(2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol2-Chloro-9-(b-D-ribofuranosyl)purine2-chloro-9-pentofuranosyl-9h-purineNSC25713DTXSID50282394(2R,3R,4S,5R)-2-(2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolNSC-25713NC1631039H-Purine, 2-chloro-9-(beta-d-ribofuranosyl)-2-Chloro-6-deaminoadenosine2-Chloro-6-deazaminoadenosine
Show more names
2-Chloro-9-(beta-D-ribofuranosyl)purine9H-Purine, 2-chloro-9-β-D-ribofuranosyl-(2R,3R,4S,5R)-2-(2-Chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Database identifiers
- CAS
5466-11-5- PubChem CID
- 230628
- DTXSID
DTXSID50282394
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 154 · 154-156 °C(Solv: water (7732-18-5))
- Boiling point
- 580.9 · 580.9±60.0 °C(Predicted)
- Density
- 2.03 · 2.03±0.1 g/cm3(Predicted)
- pka
- 13.07 · 13.07±0.70(Predicted)
Chemistry & industry
Applications
Uses2-Chloro-9-(beta-D-ribofuranosyl)purine 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
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