2-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purin-6-amine
Basic information
- CAS
15811-32-2- Standard SMILES
CC(=O)OCC1OC(n2cnc3c(N)nc(F)nc32)C(OC(C)=O)C1OC(C)=O- InChIKey
LDICZLRLPNWOIS-UHFFFAOYSA-N- Molecular formula
- C16H18FN5O7
- Average molar mass
- 411.34 g/mol
- Monoisotopic mass
- 411.11902609
Names & identifiers
- Preferred name
- 2-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purin-6-amine
- IUPAC
- [3,4-diacetyloxy-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl acetate
- English name
- 2-Fluoro-2',3',5'-triacetoxyadenosine
- Molecular formula
- C16H18FN5O7
- Molecular weight
- 411.34
Names & synonyms
2-fluoro-2',3',5'-triacetoxyadenosineNSC1088532-fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purin-6-amineSCHEMBL12019516DTXSID50935858[(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(6-amino-2-fluoro-9H-purin-9-yl)oxolan-2-yl]methyl acetateAKOS032947214NSC-1088532\',3\',5\'-Tri-O-acetyl-2-fluoroadenosine2-Fluoro-2',3',5'-triacetoxyladenosine2-FLUORO-2',3',5'-TRI-O-ACETYLADENOSINE2',3',5'-Tri-O-acetyl-2-fluoroadenosine
Show more names
Adenosine, 2-fluoro-, 2',3',5'-triacetate2-Fluoro-2',3',5'-trioxo-acetyl adenosine2-Fluoro-2',3',5'-Trioxo-Acethyl Adenosine2-FLUORO-2',3',5'-TRI-O-ACETYLADENOSINE(FLUDARABINE INTERMEDIATE)[3,4-diacetyloxy-5-(6-amino-2-fluoro-9H-purin-9-yl)-tetrahydrofuran-2-yl]methyl ethanoateacetic acid [[3,4-diacetyloxy-5-(6-amino-2-fluoro-9-purinyl)-3,4-dihydroxy-2-oxolanyl]-hydroxymethyl] ester
Database identifiers
- CAS
15811-32-2- PubChem CID
- 268563
- DTXSID
DTXSID50935858
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 655
Physicochemical properties
- Melting point
- 194 · 194-197°C
- Boiling point
- 635.4 · 635.4±65.0 °C(Predicted)
- Density
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 1.3 · 1.30±0.10(Predicted)
- CAS DataBase Reference
- 15811 · 15811-32-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
Chemistry & industry
Applications
Uses2-Fluoro-2',3',5'-triacetoxyadenosine is used as an intermediate in the drug fludarabine.
Related reactions
1 records
Compound notes
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