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4'-Fluorouridine triphosphate

CAT: 0804-HY-146247Size: 1 EachDry Ice: NoHazardous: No
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Description
4'-Fluorouridine triphosphate (4'-F-UTP) is a monomeric raw material that can be used for nucleic acid synthesis.
CAS Number
1251838-93-3
Product Name Alternative
4'-F-UTP
UNSPSC
12352005
Target
Nucleoside Antimetabolite/Analog
Related Pathways
Cell Cycle/DNA Damage
Field of Research
Metabolic Disease
Smiles
O[C@H]1[C@@H](O)[C@H](N2C(NC(C=C2)=O)=O)O[C@@]1(COP(OP(OP(O)(O)=O)(O)=O)(O)=O)F
Molecular Formula
C9H14FN2O15P3
Molecular Weight
502.13
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4'-fluorouridine 5'-O-triphosphate
CAS Number1251838-93-3
PubChem CID90233147
IUPAC Name[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular FormulaC9H14FN2O15P3
Molecular Weight502.13
XLogP-5.9
Topological Polar Surface Area259
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity891
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@](O2)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)F)O)O
InChI
InChI=1S/C9H14FN2O15P3/c10-9(3-24-29(20,21)27-30(22,23)26-28(17,18)19)6(15)5(14)7(25-9)12-2-1-4(13)11-8(12)16/h1-2,5-7,14-15H,3H2,(H,20,21)(H,22,23)(H,11,13,16)(H2,17,18,19)/t5-,6+,7-,9-/m1/s1
InChIKey
JICLDCHIWOEHQY-JVZYCSMKSA-N
Chemical Structure
2D Structure
2D structure of 4'-fluorouridine 5'-O-triphosphate
CAS: 1251838-93-3
CID: 90233147
Formula: C9H14FN2O15P3
MW: 502.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight502.13
XLogP3-5.9
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass501.95910690
Monoisotopic Mass501.95910690
Topological Polar Surface Area259 Ų
Heavy Atom Count30
Formal Charge0
Complexity891
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes