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Chemical structure of Emtricitabine triphosphate tetrasodium salt

GC70647

Emtricitabine triphosphate tetrasodium salt

Also known as tetrasodium;[[[(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

Emtricitabine triphosphate tetrasodium salt is the tetrasodium salt form of Emtricitabine triphosphate

ChemicalCAS1188407-46-6MW575.11FormulaC8H9FN3Na4O12P3S
CAS number
1188407-46-6
Molecular weight
575.11
Formula
C8H9FN3Na4O12P3S
Solubility
H2O : 125 mg/mL (217·35 mM; Need ultrasonic)
InChIKey
UVCVKFWKKXBGTF-YPNYOHIOSA-J
Catalogue number
GC70647
Brand
GLPBIO
Computed properties PubChem CID 132585232 · TPSA 264 Ų · H-bond donors 1 · H-bond acceptors 14
TPSA
264 Ų
H-bond donors
1
H-bond acceptors
14
Rotatable bonds
7
Heavy atoms
32

SMILES C1[C@H](O[C@H](S1)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])N2C=C(C(=NC2=O)N)F.[Na+].[Na+].[Na+].[Na+]

Computed descriptors from PubChem (CID 132585232), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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