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URIDINE-13C9, 15N2-5 TRIPHOSPHATE SODI U structure
URIDINE-13C9, 15N2-5 TRIPHOSPHATE SODI U structure

URIDINE-13C9, 15N2-5 TRIPHOSPHATE SODI U

Iupac Name:disodium;[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
CAS No.: 285978-18-9
Molecular Weight:528.103
Modify Date.: 2022-11-22 20:22
1. Names and Identifiers
1.1 Name
URIDINE-13C9, 15N2-5 TRIPHOSPHATE SODI U
1.2 Synonyms

5′-UTP,2Na Disodium 5'-O-[({hydroxy[(hydroxyphosphinato)oxy]phosphoryl}oxy)phosphinato]uridine Sodium ((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogentriphosphate Uridine, 5'-(tetrahydrogen triphosphate), sodium salt (1:2) uridine-13c9,15n2 5-triphosphate disodium salt Uridine-13C9-15N2 5'-(tetrahydrogen triphosphate) sodium salt Uridine-13C9-15N25'-(tetrahydrogen triphosphate) Uridine-13C9-15N25'-(tetrahydrogen triphosphate), sodium salt Uridine-913C-2-15N 5μ-triphosphate sodium salt UTP.Na2

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1.3 CAS No.
285978-18-9
1.4 CID
75487599
1.5 EINECS(EC#)
2017-001-1
1.6 Molecular Formula
C9H13N2Na2O15P3 (isomer)
1.7 Inchi
InChI=1S/C9H15N2O15P3.2Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18);;/q;2*+1/p-2/t4-,6-,7-,8-;;/m1../s1
1.8 InChIkey
JFXKPFPIFSFLOU-WFIJOQBCSA-L
1.9 Canonical Smiles
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OP(=O)(O)[O-])O)O.[Na+].[Na+]
1.10 Isomers Smiles
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OP(=O)(O)[O-])O)O.[Na+].[Na+]
2. Properties
2.1 Precise Quality
527.932434
2.1 PSA
265
3. Computational chemical data
  • Molecular Weight: 528.103g/mol
  • Molecular Formula: C9H13N2Na2O15P3
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 527.93241727
  • Monoisotopic Mass: 527.93241727
  • Complexity: 828
  • Rotatable Bond Count: 8
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 15
  • Topological Polar Surface Area: 265
  • Heavy Atom Count: 31
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 3
  • CACTVS Substructure Key Fingerprint: AAADccBzPDMAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
4. Question & Answer
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