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Rx-3117

CAS No.:
865838-26-2
Catalog Number:
AG00GU68
Molecular Formula:
C10H12FN3O4
Molecular Weight:
257.2184
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
97%
1 week
United States
$640
- +
10mg
97%
1 week
United States
$890
- +
50mg
97%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG00GU68
Chemical Name:
Rx-3117
CAS Number:
865838-26-2
Molecular Formula:
C10H12FN3O4
Molecular Weight:
257.2184
MDL Number:
MFCD28502078
IUPAC Name:
4-amino-1-[(1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one
InChI:
InChI=1S/C10H12FN3O4/c11-6-4(3-15)8(16)9(17)7(6)14-2-1-5(12)13-10(14)18/h1-2,7-9,15-17H,3H2,(H2,12,13,18)/t7-,8-,9+/m1/s1
InChI Key:
QLLGKCJUPWYJON-HLTSFMKQSA-N
SMILES:
Nc1ccn(c(=O)n1)[C@H]1[C@H](O)[C@@H](C(=C1F)CO)O
UNII:
0Z4A82I0JO
Properties
Complexity:
474  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
257.081g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
257.221g/mol
Monoisotopic Mass:
257.081g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6  
Literature
Title Journal
Fluorocyclopentenyl-cytosine with broad spectrum and potent antitumor activity. Journal of medicinal chemistry 20120510
Properties