Drug Interactions: This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions: Not Available

Chemical Identifiers

UNII: Not Available
CAS number: Not Available
InChI Key: NGTCPFGWXMBZEP-KBQKSTHMSA-N
InChI: InChI=1S/C15H23FN2O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9+,10-,11-,12-,13-,14-/m1/s1
IUPAC Name: {[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid
SMILES: [H]N1C(=O)C=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@]3([H])F)[C@@H](O)[C@H]2O)C1=O

References

General References

Not Available

External Links

PubChem Compound: 445795
PubChem Substance: 46509153
ChemSpider: 393327
ZINC: ZINC000015553713
PDBe Ligand: UPF

PDB Entries

1g9r / 1ga8 / 1ss9 / 2vfz

Clinical Trials

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Phase	Status	Purpose	Conditions	Count	Start Date	Why Stopped	100+ additional columns
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Pharmacoeconomics

Manufacturers: Not Available
Packagers: Not Available
Dosage Forms: Not Available
Prices: Not Available
Patents: Not Available

Properties

State

Solid

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	21.7 mg/mL	ALOGPS
logP	-0.94	ALOGPS
logP	-4.1	Chemaxon
logS	-1.4	ALOGPS
pKa (Strongest Acidic)	1.73	Chemaxon
pKa (Strongest Basic)	-3	Chemaxon
Physiological Charge	-2	Chemaxon
Hydrogen Acceptor Count	13	Chemaxon
Hydrogen Donor Count	8	Chemaxon
Polar Surface Area	271.31 Å²	Chemaxon
Rotatable Bond Count	9	Chemaxon
Refractivity	104.76 m³·mol^-1	Chemaxon
Polarizability	45.38 Å³	Chemaxon
Number of Rings	3	Chemaxon
Bioavailability	0	Chemaxon
Rule of Five	No	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	Yes	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0gbi-0000390000-b3164ab969cba382e5b8
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0000090000-ce19162b929ef6c32be4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01p9-0420960000-0deecc7d15fb7f247730
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0100940000-af40f7fea20483372a86
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-1951200000-eeebb9744c342da802c7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-08gi-2946340000-2eda3e917919f2415d2a

Chromatographic Properties