4-amino-1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride


Chemical Name: 4-amino-1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
CAS Number: 122111-03-9
Product Number: AG003QQQ(AGN-PC-07CESZ)
Synonyms:
MDL No: MFCD01735988
Molecular Formula: C9H12ClF2N3O4
Molecular Weight: 299.6591

Identification/Properties


Properties
MP:
>250°C dec.
Storage:
Room Temperature;Light sensitive;Inert atmosphere;
Form:
Solid
Solubility:
H2O: ≥10mg/mL
Computed Properties
Molecular Weight:
299.659g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
299.048g/mol
Monoisotopic Mass:
299.048g/mol
Topological Polar Surface Area:
108A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
426
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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