Home Other Building Blocks 2'-Deoxy-2'-fluorocytidine hydrate

2'-Deoxy-2'-fluorocytidine hydrate

CAS No.:
1820580-34-4
Catalog Number:
AG0023AQ
Molecular Formula:
C9H14FN3O5
Molecular Weight:
263.2230
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Product Description
Catalog Number:
AG0023AQ
Chemical Name:
2'-Deoxy-2'-fluorocytidine hydrate
CAS Number:
1820580-34-4
Molecular Formula:
C9H14FN3O5
Molecular Weight:
263.2230
MDL Number:
MFCD00057445
IUPAC Name:
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrate
InChI:
InChI=1S/C9H12FN3O4.H2O/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16;/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16);1H2/t4-,6-,7-,8-;/m1./s1
InChI Key:
KUYKYENKWWNPHG-IAIGYFSYSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)F)n1ccc(nc1=O)N.O
Properties
Complexity:
386  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
263.092g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
263.225g/mol
Monoisotopic Mass:
263.092g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties