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Fiacitabine

CAS No.:
69123-90-6
Catalog Number:
AG00FBZZ
Molecular Formula:
C9H11FIN3O4
Molecular Weight:
371.1042
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$640
- +
10mg
98%
1 week
United States
$890
- +
Product Description
Catalog Number:
AG00FBZZ
Chemical Name:
Fiacitabine
CAS Number:
69123-90-6
Molecular Formula:
C9H11FIN3O4
Molecular Weight:
371.1042
MDL Number:
MFCD00868897
IUPAC Name:
4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
InChI:
InChI=1S/C9H11FIN3O4/c10-5-6(16)4(2-15)18-8(5)14-1-3(11)7(12)13-9(14)17/h1,4-6,8,15-16H,2H2,(H2,12,13,17)/t4-,5+,6-,8-/m1/s1
InChI Key:
GIMSJJHKKXRFGV-BYPJNBLXSA-N
SMILES:
OC[C@H]1O[C@H]([C@H]([C@@H]1O)F)n1cc(I)c(nc1=O)N
UNII:
4058H365ZB
Properties
Complexity:
430  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
370.978g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
371.107g/mol
Monoisotopic Mass:
370.978g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Literature
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Properties