[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium;methanol

C10H19FN2O11P2+2 — CID 171528817

IUPAC[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium;methanol
SMILESCO.O=c1[nH]c(=O)n(C2CCC(CO[P+](O)(O)O[P+](O)(O)O)O2)cc1F
InChIInChI=1S/C9H14FN2O10P2.CH4O/c10-6-3-12(9(14)11-8(6)13)7-2-1-5(21-7)4-20-24(18,19)22-23(15,16)17;1-2/h3,5,7,15-19H,1-2,4H2;2H,1H3/q+1;/p+1
InChIKeyJDTFLSFAHOGZLJ-UHFFFAOYSA-O
MW424.21 g/mol
LogP-1.69
Rot. Bonds6

About [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium;methanol

[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium;methanol (PubChem CID 171528817) has the molecular formula C10H19FN2O11P2+2 and a molecular weight of 424.21 g/mol. Its IUPAC name is [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium;methanol.

Molecular Properties

Compound Name[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium;methanol
PubChem CID171528817
Molecular FormulaC10H19FN2O11P2+2
Molecular Weight424.21 g/mol
Exact Mass424.04
IUPAC Name[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium;methanol
SMILESCO.O=c1[nH]c(=O)n(C2CCC(CO[P+](O)(O)O[P+](O)(O)O)O2)cc1F
InChIInChI=1S/C9H14FN2O10P2.CH4O/c10-6-3-12(9(14)11-8(6)13)7-2-1-5(21-7)4-20-24(18,19)22-23(15,16)17;1-2/h3,5,7,15-19H,1-2,4H2;2H,1H3/q+1;/p+1
InChIKeyJDTFLSFAHOGZLJ-UHFFFAOYSA-O
XLogP-1.69
TPSA203.93 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500424.21
LogP ≤ 5-1.69
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium;methanol with MolForge

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Related Compounds

CID 171528845
CID 171528845
1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione
CID 142167597
[5-(5-formyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-trihydroxyphosphanium;methanol
CID 153342401
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-aminoacetate
CID 153342279
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propyl hydrogen phosphite
CID 139341090
[[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(methoxy)phosphoryl] hydrogen phosphate
CID 130458206
CID 156804470
CID 156804470
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
CID 170193041
(3,5-dimethylphenyl)methyl [(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 142624421
[5-(5-chloro-2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-trihydroxyphosphanium
CID 156803950
ethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
CID 142985863
5-fluoro-1-[5-[[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(methylamino)oxolan-2-yl]methoxy]phosphinothioyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 174318070

Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium;methanol?
The IUPAC name of [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium;methanol (CID 171528817) is [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium;methanol.
What is the SMILES notation for [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium;methanol?
The canonical SMILES for [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium;methanol is CO.O=c1[nH]c(=O)n(C2CCC(CO[P+](O)(O)O[P+](O)(O)O)O2)cc1F.
What is the InChIKey of [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium;methanol?
The InChIKey is JDTFLSFAHOGZLJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H14FN2O10P2.CH4O/c10-6-3-12(9(14)11-8(6)13)7-2-1-5(21-7)4-20-24(18,19)22-23(15,16)17;1-2/h3,5,7,15-19H,1-2,4H2;2H,1H3/q+1;/p+1.
What are the key properties of [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium;methanol?
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium;methanol has a molecular weight of 424.21 g/mol, XLogP of -1.69, 6 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium;methanol is sourced from PubChem (CID 171528817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).