1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethenyl dihydrogen phosphate

C10H12FN2O8P — CID 170689089

IUPAC1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethenyl dihydrogen phosphate
SMILESC=C(OP(=O)(O)O)[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)CC1O
InChIInChI=1S/C10H12FN2O8P/c1-4(21-22(17,18)19)8-6(14)2-7(20-8)13-3-5(11)9(15)12-10(13)16/h3,6-8,14H,1-2H2,(H,12,15,16)(H2,17,18,19)/t6?,7-,8-/m1/s1
InChIKeyMAEXWWIGTJANKZ-SPDVFEMOSA-N
MW338.18 g/mol
LogP-1.05
Rot. Bonds4

About 1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethenyl dihydrogen phosphate

1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethenyl dihydrogen phosphate (PubChem CID 170689089) has the molecular formula C10H12FN2O8P and a molecular weight of 338.18 g/mol. Its IUPAC name is 1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethenyl dihydrogen phosphate.

Molecular Properties

Compound Name1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethenyl dihydrogen phosphate
PubChem CID170689089
Molecular FormulaC10H12FN2O8P
Molecular Weight338.18 g/mol
Exact Mass338.03
IUPAC Name1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethenyl dihydrogen phosphate
SMILESC=C(OP(=O)(O)O)[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)CC1O
InChIInChI=1S/C10H12FN2O8P/c1-4(21-22(17,18)19)8-6(14)2-7(20-8)13-3-5(11)9(15)12-10(13)16/h3,6-8,14H,1-2H2,(H,12,15,16)(H2,17,18,19)/t6?,7-,8-/m1/s1
InChIKeyMAEXWWIGTJANKZ-SPDVFEMOSA-N
XLogP-1.05
TPSA151.08 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carboxylic acid
CID 70610848
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphinic acid
CID 59567442
5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid
CID 66863184
[1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]cyclobutyl] dihydrogen phosphate
CID 170688842
5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione
CID 162705739
[(1R)-1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-2-hydroxyethyl] dihydrogen phosphate
CID 170689111
[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 122185409
[3-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]thietan-3-yl] dihydrogen phosphate
CID 162744714
5-fluoro-1-(4-hydroxy-5-pentanoyloxolan-2-yl)pyrimidine-2,4-dione
CID 91248625
[(S)-cyano-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl] dihydrogen phosphate
CID 170689150
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-N-oxophosphonamidic acid
CID 90191218
dilithium;2-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]propan-2-yl phosphate
CID 162744433

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethenyl dihydrogen phosphate?
The IUPAC name of 1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethenyl dihydrogen phosphate (CID 170689089) is 1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethenyl dihydrogen phosphate.
What is the SMILES notation for 1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethenyl dihydrogen phosphate?
The canonical SMILES for 1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethenyl dihydrogen phosphate is C=C(OP(=O)(O)O)[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)CC1O.
What is the InChIKey of 1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethenyl dihydrogen phosphate?
The InChIKey is MAEXWWIGTJANKZ-SPDVFEMOSA-N. The full InChI is InChI=1S/C10H12FN2O8P/c1-4(21-22(17,18)19)8-6(14)2-7(20-8)13-3-5(11)9(15)12-10(13)16/h3,6-8,14H,1-2H2,(H,12,15,16)(H2,17,18,19)/t6?,7-,8-/m1/s1.
What are the key properties of 1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethenyl dihydrogen phosphate?
1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethenyl dihydrogen phosphate has a molecular weight of 338.18 g/mol, XLogP of -1.05, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethenyl dihydrogen phosphate is sourced from PubChem (CID 170689089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).