dilithium;2-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]propan-2-yl phosphate

C11H14FLi2N2O8P — CID 162744433

IUPACdilithium;2-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]propan-2-yl phosphate
SMILESCC(C)(OP(=O)([O-])[O-])[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O.[Li+].[Li+]
InChIInChI=1S/C11H16FN2O8P.2Li/c1-11(2,22-23(18,19)20)8-6(15)3-7(21-8)14-4-5(12)9(16)13-10(14)17;;/h4,6-8,15H,3H2,1-2H3,(H,13,16,17)(H2,18,19,20);;/q;2*+1/p-2/t6-,7+,8-;;/m0../s1
InChIKeyFTNDWXCODBKREE-SGQZNDNTSA-L
MW366.09 g/mol
LogP-8.04
Rot. Bonds4

About dilithium;2-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]propan-2-yl phosphate

dilithium;2-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]propan-2-yl phosphate (PubChem CID 162744433) has the molecular formula C11H14FLi2N2O8P and a molecular weight of 366.09 g/mol. Its IUPAC name is dilithium;2-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]propan-2-yl phosphate.

Molecular Properties

Compound Namedilithium;2-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]propan-2-yl phosphate
PubChem CID162744433
Molecular FormulaC11H14FLi2N2O8P
Molecular Weight366.09 g/mol
Exact Mass366.08
IUPAC Namedilithium;2-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]propan-2-yl phosphate
SMILESCC(C)(OP(=O)([O-])[O-])[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O.[Li+].[Li+]
InChIInChI=1S/C11H16FN2O8P.2Li/c1-11(2,22-23(18,19)20)8-6(15)3-7(21-8)14-4-5(12)9(16)13-10(14)17;;/h4,6-8,15H,3H2,1-2H3,(H,13,16,17)(H2,18,19,20);;/q;2*+1/p-2/t6-,7+,8-;;/m0../s1
InChIKeyFTNDWXCODBKREE-SGQZNDNTSA-L
XLogP-8.04
TPSA156.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.09
LogP ≤ 5-8.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[1-[3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-1-[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethyl] hydrogen phosphate
CID 71431396
[1-[3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-1-[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethyl] dihydrogen phosphate
CID 71431397
5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione
CID 162705739
[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]ethenyl dihydrogen phosphate
CID 170689089
(5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carboxylic acid
CID 70610848
[1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]cyclobutyl] dihydrogen phosphate
CID 170688842
[(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
[(2S,3S,5R)-2-(chloromethyl)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate
CID 18667133

Frequently Asked Questions

What is the IUPAC name of dilithium;2-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]propan-2-yl phosphate?
The IUPAC name of dilithium;2-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]propan-2-yl phosphate (CID 162744433) is dilithium;2-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]propan-2-yl phosphate.
What is the SMILES notation for dilithium;2-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]propan-2-yl phosphate?
The canonical SMILES for dilithium;2-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]propan-2-yl phosphate is CC(C)(OP(=O)([O-])[O-])[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O.[Li+].[Li+].
What is the InChIKey of dilithium;2-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]propan-2-yl phosphate?
The InChIKey is FTNDWXCODBKREE-SGQZNDNTSA-L. The full InChI is InChI=1S/C11H16FN2O8P.2Li/c1-11(2,22-23(18,19)20)8-6(15)3-7(21-8)14-4-5(12)9(16)13-10(14)17;;/h4,6-8,15H,3H2,1-2H3,(H,13,16,17)(H2,18,19,20);;/q;2*+1/p-2/t6-,7+,8-;;/m0../s1.
What are the key properties of dilithium;2-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]propan-2-yl phosphate?
dilithium;2-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]propan-2-yl phosphate has a molecular weight of 366.09 g/mol, XLogP of -8.04, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]propan-2-yl phosphate is sourced from PubChem (CID 162744433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).