1-(2'-Deoxy-2'-fluoro-beta-arabinofuranosyl)-5-methylcytosine triphosphate
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Basic information
- CAS
79570-62-0- Standard SMILES
Cc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]2F)c(=O)nc1N- InChIKey
ZGJOFWKMPGJMDN-JVZYCSMKSA-N- Molecular formula
- C10H17FN3O13P3
- Average molar mass
- 499.17 g/mol
- Monoisotopic mass
- 498.99582676
Overview
RN given refers to (D)-isomer
Names & identifiers
- Preferred name
- 1-(2'-Deoxy-2'-fluoro-beta-arabinofuranosyl)-5-methylcytosine triphosphate
- IUPAC
- [[(2R,3R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- English name
- 2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-2-fluoro-5-O-(hydroxy((hydroxy( phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-arabinofuranosyl)-5-met hyl-
- Molecular formula
- C10H17FN3O13P3
- Molecular weight
- 499.17
Names & synonyms
79570-62-01-Dfamct1-(2'-Deoxy-2'-fluoro-beta-arabinofuranosyl)-5-methylcytosine triphosphateDTXSID70229781RefChem:73935DTXCID20152272((2R,3R,4S,5R)-5-(4-Amino-5-methyl-2-oxopyrimidin-1(2H)-yl)-4-fluoro-3-hydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphateFMACTPorb1907913TNU10911-(2'-Deoxy-2'-fluoro-beta-L-arabinofuranosyl)-5-methyluracil 5'-triphosphate[[(2R,3R,4S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Show more names
2'-Deoxy-2'-fluoro-5-methyl-araobinocytidine 5'-triphosphate triethyl ammonium salt(79570-62-0 free base)2’-Deoxy-2’-fluoro-5-methyl-araobinocytidine ?5’-triphosphate triethyl ammonium salt（79570-62-0 free base)2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-2-fluoro-5-O-(hydroxy((hydroxy( phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-arabinofuranosyl)-5-met hyl-
Properties
Computed structural propertiesFilling in
- XLogP
- -4.8
- Topological polar surface area
- 248 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 905
Physicochemical properties
- Boiling point
- 803.665 · 803.665±75.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 2.337 · 2.337±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.796 · 0.796±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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