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5-Fluorouridine 5'-Triphosphate

CAT: 0572-TRC-F532520-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F532520-25MGSize:25 mg
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CAS Number
3828-96-4
Hazard Statement
No Data Available
Smiles
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(F)C(=O)NC2=O
Molecular Formula
C9 H14 F N2 O15 P3
Molecular Weight
502.132
InChI
InChI=1S/C9H14FN2O15P3/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(25-8)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
Additionnal Information
IUPAC name: [[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Shipping Conditions
Room Temperature

Chemical Information

5-Fluorouridine 5'-triphosphate
CAS Number3828-96-4
PubChem CID10255482
IUPAC Name[[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular FormulaC9H14FN2O15P3
Molecular Weight502.13
XLogP-5.8
Topological Polar Surface Area259
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity889
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F
InChI
InChI=1S/C9H14FN2O15P3/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(25-8)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
InChIKey
AREUQFTVCMGENT-UAKXSSHOSA-N
Chemical Structure
2D Structure
2D structure of 5-Fluorouridine 5'-triphosphate
CAS: 3828-96-4
CID: 10255482
Formula: C9H14FN2O15P3
MW: 502.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight502.13
XLogP3-5.8
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
Complexity889
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

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NF32079-015-Fluorouridine-5'-triphosphate sodium salt
NF157285-015-Fluorouridine-5'-triphosphate triethylammonium salt - aqueous solution
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