[(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-fluoro-5-(hydroxymethyl)-2,3-dihydrofuran-4-yl] dihydrogen phosphate

C9H10FN2O8P — CID 656946

IUPAC[(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-fluoro-5-(hydroxymethyl)-2,3-dihydrofuran-4-yl] dihydrogen phosphate
SMILESO=c1ccn([C@@H]2OC(CO)=C(OP(=O)(O)O)[C@H]2F)c(=O)[nH]1
InChIInChI=1S/C9H10FN2O8P/c10-6-7(20-21(16,17)18)4(3-13)19-8(6)12-2-1-5(14)11-9(12)15/h1-2,6,8,13H,3H2,(H,11,14,15)(H2,16,17,18)/t6-,8-/m1/s1
InChIKeyFORKZNMCELFWTJ-HTRCEHHLSA-N
MW324.16 g/mol
LogP-1.28
Rot. Bonds4

About [(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-fluoro-5-(hydroxymethyl)-2,3-dihydrofuran-4-yl] dihydrogen phosphate

[(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-fluoro-5-(hydroxymethyl)-2,3-dihydrofuran-4-yl] dihydrogen phosphate (PubChem CID 656946) has the molecular formula C9H10FN2O8P and a molecular weight of 324.16 g/mol. Its IUPAC name is [(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-fluoro-5-(hydroxymethyl)-2,3-dihydrofuran-4-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-fluoro-5-(hydroxymethyl)-2,3-dihydrofuran-4-yl] dihydrogen phosphate
PubChem CID656946
Molecular FormulaC9H10FN2O8P
Molecular Weight324.16 g/mol
Exact Mass324.02
IUPAC Name[(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-fluoro-5-(hydroxymethyl)-2,3-dihydrofuran-4-yl] dihydrogen phosphate
SMILESO=c1ccn([C@@H]2OC(CO)=C(OP(=O)(O)O)[C@H]2F)c(=O)[nH]1
InChIInChI=1S/C9H10FN2O8P/c10-6-7(20-21(16,17)18)4(3-13)19-8(6)12-2-1-5(14)11-9(12)15/h1-2,6,8,13H,3H2,(H,11,14,15)(H2,16,17,18)/t6-,8-/m1/s1
InChIKeyFORKZNMCELFWTJ-HTRCEHHLSA-N
XLogP-1.28
TPSA151.08 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 144647512
[(2R,3R,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 126968626
[(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 57130865
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid
CID 23616153
1-[(2R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 144726560
[(2R,3R,5R)-5-(2,4-dioxo(2,4,5,6-13C4)pyrimidin-1-yl)-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](113C)methyl dihydrogen phosphate
CID 169494018
[(2R,3S,4S,5R)-5-(2,4-dioxo(213C,1,3-15N2)pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 71313476
bis[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 175344269
1-[(2R,3R,4R,5R)-5-ethoxy-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118191352
azane;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 174951167
Uridine 5'-monophosphate, disodium salt
CID 123134060
1-[(2R,3R,4R,5R)-4-dihydroxyphosphinothioyloxy-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 122480567

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-fluoro-5-(hydroxymethyl)-2,3-dihydrofuran-4-yl] dihydrogen phosphate?
The IUPAC name of [(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-fluoro-5-(hydroxymethyl)-2,3-dihydrofuran-4-yl] dihydrogen phosphate (CID 656946) is [(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-fluoro-5-(hydroxymethyl)-2,3-dihydrofuran-4-yl] dihydrogen phosphate.
What is the SMILES notation for [(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-fluoro-5-(hydroxymethyl)-2,3-dihydrofuran-4-yl] dihydrogen phosphate?
The canonical SMILES for [(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-fluoro-5-(hydroxymethyl)-2,3-dihydrofuran-4-yl] dihydrogen phosphate is O=c1ccn([C@@H]2OC(CO)=C(OP(=O)(O)O)[C@H]2F)c(=O)[nH]1.
What is the InChIKey of [(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-fluoro-5-(hydroxymethyl)-2,3-dihydrofuran-4-yl] dihydrogen phosphate?
The InChIKey is FORKZNMCELFWTJ-HTRCEHHLSA-N. The full InChI is InChI=1S/C9H10FN2O8P/c10-6-7(20-21(16,17)18)4(3-13)19-8(6)12-2-1-5(14)11-9(12)15/h1-2,6,8,13H,3H2,(H,11,14,15)(H2,16,17,18)/t6-,8-/m1/s1.
What are the key properties of [(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-fluoro-5-(hydroxymethyl)-2,3-dihydrofuran-4-yl] dihydrogen phosphate?
[(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-fluoro-5-(hydroxymethyl)-2,3-dihydrofuran-4-yl] dihydrogen phosphate has a molecular weight of 324.16 g/mol, XLogP of -1.28, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-fluoro-5-(hydroxymethyl)-2,3-dihydrofuran-4-yl] dihydrogen phosphate is sourced from PubChem (CID 656946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).