2-Fluoro-2',3'-dideoxyadenosine
Basic information
- CAS
114849-59-1- Standard SMILES
Nc1nc(F)nc2c1ncn2[C@H]1CC[C@@H](CO)O1- InChIKey
OGSWGOOQBBYAIG-NTSWFWBYSA-N- Molecular formula
- C10H12FN5O2
- Average molar mass
- 253.23 g/mol
- Monoisotopic mass
- 253.0975028
Names & identifiers
- Preferred name
- 2-Fluoro-2',3'-dideoxyadenosine
- IUPAC
- [(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
- English name
- 2-fluoro-2',3'-dideoxyadenosine
- Molecular formula
- C10H12FN5O2
- Molecular weight
- 253.23
Names & synonyms
114849-59-12-Fluoro-2',3'-dideoxyadenosine2-FddaAdenosine, 2',3'-dideoxy-2-fluoro-DTXSID30150885RefChem:909820DTXCID0073376[(2S,5R)-5-(6-Amino-2-Fluoropurin-9-ylOxolan-2-Yl]Methanol2-F-ddASCHEMBL30541672',3'-Dideoxy-2-fluoro-Adenosine[(2S,5R)-5-(6-amino-2-fluoro-9H-purin-9-yl)oxolan-2-yl]methanol
Show more names
[3-(6-Amino-2-fluoropurin-9-yl)-2-oxolanyl]methan-1-ol2-Fluoro-9-(2,3-dideoxy-.beta.-D-glycero-pentofuranosyl)adenine[(2S,5R)-5-(6-amino-2-fluoro-purin-9-yl)tetrahydrofuran-2-yl]methanolInChI=1/C10H12FN5O2/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,17H,1-3H2,(H2,12,14,15)/t5-,6+/m0/s
Database identifiers
- CAS
114849-59-1- PubChem CID
- 72195
- DTXSID
DTXSID30150885- Nikkaji
- J1.708.356B
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Comptox DTXSID
- 30150885 · DTXSID30150885
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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