[[(2S,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl]phosphonic acid

C10H14FN2O7P — CID 69200333

IUPAC[[(2S,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl]phosphonic acid
SMILESCc1cn([C@H]2C[C@H](F)[C@@H](C(O)P(=O)(O)O)O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H14FN2O7P/c1-4-3-13(10(16)12-8(4)14)6-2-5(11)7(20-6)9(15)21(17,18)19/h3,5-7,9,15H,2H2,1H3,(H,12,14,16)(H2,17,18,19)/t5-,6+,7-,9?/m0/s1
InChIKeyDREDUMSAONLSEG-WPRFRAJKSA-N
MW324.20 g/mol
LogP-1.03
Rot. Bonds3

About [[(2S,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl]phosphonic acid

[[(2S,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl]phosphonic acid (PubChem CID 69200333) has the molecular formula C10H14FN2O7P and a molecular weight of 324.20 g/mol. Its IUPAC name is [[(2S,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl]phosphonic acid.

Molecular Properties

Compound Name[[(2S,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl]phosphonic acid
PubChem CID69200333
Molecular FormulaC10H14FN2O7P
Molecular Weight324.20 g/mol
Exact Mass324.05
IUPAC Name[[(2S,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl]phosphonic acid
SMILESCc1cn([C@H]2C[C@H](F)[C@@H](C(O)P(=O)(O)O)O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H14FN2O7P/c1-4-3-13(10(16)12-8(4)14)6-2-5(11)7(20-6)9(15)21(17,18)19/h3,5-7,9,15H,2H2,1H3,(H,12,14,16)(H2,17,18,19)/t5-,6+,7-,9?/m0/s1
InChIKeyDREDUMSAONLSEG-WPRFRAJKSA-N
XLogP-1.03
TPSA141.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,4S,5R)-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175678261
[(2R,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 57496821
1-[(4R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 134356951
1-[(4S,5S)-4-fluoro-5-(iodomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 174066539
1-[(2R,4R,5R)-4-amino-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 3000338
[(S)-[(2S,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl]phosphonic acid
CID 101004656
1-[(2R,4S)-4-fluoro-5-(sulfanylmethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 90996877
1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936
ethenyl-[[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid
CID 5274137
1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 22883960
1-[(2R,4S,5R)-4,5-dihydroxyoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14079545
1-[(2R)-4,5-dihydroxyoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 25134798

Frequently Asked Questions

What is the IUPAC name of [[(2S,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl]phosphonic acid?
The IUPAC name of [[(2S,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl]phosphonic acid (CID 69200333) is [[(2S,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl]phosphonic acid.
What is the SMILES notation for [[(2S,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl]phosphonic acid?
The canonical SMILES for [[(2S,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl]phosphonic acid is Cc1cn([C@H]2C[C@H](F)[C@@H](C(O)P(=O)(O)O)O2)c(=O)[nH]c1=O.
What is the InChIKey of [[(2S,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl]phosphonic acid?
The InChIKey is DREDUMSAONLSEG-WPRFRAJKSA-N. The full InChI is InChI=1S/C10H14FN2O7P/c1-4-3-13(10(16)12-8(4)14)6-2-5(11)7(20-6)9(15)21(17,18)19/h3,5-7,9,15H,2H2,1H3,(H,12,14,16)(H2,17,18,19)/t5-,6+,7-,9?/m0/s1.
What are the key properties of [[(2S,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl]phosphonic acid?
[[(2S,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl]phosphonic acid has a molecular weight of 324.20 g/mol, XLogP of -1.03, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2S,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl]phosphonic acid is sourced from PubChem (CID 69200333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).