Basic information
- CAS
146-78-1- Standard SMILES
Nc1nc(F)nc2c1ncn2C1OC(CO)C(O)C1O- InChIKey
HBUBKKRHXORPQB-UHFFFAOYSA-N- Molecular formula
- C10H12FN5O4
- Average molar mass
- 285.23 g/mol
- Monoisotopic mass
- 285.08733204
Names & identifiers
- Preferred name
- Fludarabine Base
- IUPAC
- 2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- 2-(6-amino-2-fluoro-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- Molecular formula
- C10H12FN5O4
- Molecular weight
- 285.23
Names & synonyms
Fludarabine BaseDTXSID3027439819768-92-4RefChem:345486DTXCID002258772-Far2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol2-FasF-ara-A;NSC 118218SRI 7272-fluoro-9-pentofuranosyl-9h-purin-6-aminePurine, 6-amino-2-fluoro-9-.beta.-D-ribofuranosyl-
Show more names
9H-Purin-6-amine, 2-fluoro-9-β-D-xylofuranosyl-2-(6-amino-2-fluoro-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CHEMBL598SCHEMBL12019517SCHEMBL28926310SCHEMBL29352644(2R,3R,4R,5R)-2-(6-amino-2-fluoro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol(2S,3S,4S,5R)-2-(6-amino-2-fluoro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolHMS3372G10HMS3373K17
Database identifiers
- CAS
146-78-1、19768-92-4、21679-14-1、21679-15-2- PubChem CID
- 3367
- DTXSID
DTXSID30274398- ChEMBL
CHEMBL598
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Boiling point
- 747.303 · 747.303±70.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 2.176 · 2.176±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.049 · 13.049±0.70(predicted)
Related reactions
1 records
Compound notes
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