[5-[(2,4-dioxopyrimidin-1-yl)methyl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(2-hydroxyphenoxy)-oxophosphanium

C17H19FN2O8P+ — CID 147116304

IUPAC[5-[(2,4-dioxopyrimidin-1-yl)methyl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(2-hydroxyphenoxy)-oxophosphanium
SMILESCC1(F)C(Cn2ccc(=O)[nH]c2=O)OC(CO[P+](=O)Oc2ccccc2O)C1O
InChIInChI=1S/C17H18FN2O8P/c1-17(18)13(8-20-7-6-14(22)19-16(20)24)27-12(15(17)23)9-26-29(25)28-11-5-3-2-4-10(11)21/h2-7,12-13,15,23H,8-9H2,1H3,(H-,19,21,22,24)/p+1
InChIKeyBWRJCBHOYYRAMH-UHFFFAOYSA-O
MW429.32 g/mol
LogP0.85
Rot. Bonds7

About [5-[(2,4-dioxopyrimidin-1-yl)methyl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(2-hydroxyphenoxy)-oxophosphanium

[5-[(2,4-dioxopyrimidin-1-yl)methyl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(2-hydroxyphenoxy)-oxophosphanium (PubChem CID 147116304) has the molecular formula C17H19FN2O8P+ and a molecular weight of 429.32 g/mol. Its IUPAC name is [5-[(2,4-dioxopyrimidin-1-yl)methyl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(2-hydroxyphenoxy)-oxophosphanium.

Molecular Properties

Compound Name[5-[(2,4-dioxopyrimidin-1-yl)methyl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(2-hydroxyphenoxy)-oxophosphanium
PubChem CID147116304
Molecular FormulaC17H19FN2O8P+
Molecular Weight429.32 g/mol
Exact Mass429.09
IUPAC Name[5-[(2,4-dioxopyrimidin-1-yl)methyl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(2-hydroxyphenoxy)-oxophosphanium
SMILESCC1(F)C(Cn2ccc(=O)[nH]c2=O)OC(CO[P+](=O)Oc2ccccc2O)C1O
InChIInChI=1S/C17H18FN2O8P/c1-17(18)13(8-20-7-6-14(22)19-16(20)24)27-12(15(17)23)9-26-29(25)28-11-5-3-2-4-10(11)21/h2-7,12-13,15,23H,8-9H2,1H3,(H-,19,21,22,24)/p+1
InChIKeyBWRJCBHOYYRAMH-UHFFFAOYSA-O
XLogP0.85
TPSA140.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.32
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[(3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxo-phenoxyphosphanium
CID 134221087
[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-oxo-phenoxyphosphanium
CID 123991489
2-[2-(tert-butyldisulfanyl)phenyl]ethoxy-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-oxophosphanium
CID 121404652
1-[5-(ethoxymethyl)-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 91540180
[(1S)-1-carboxypropyl]imino-[2-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]phenoxy]-oxidophosphanium
CID 142701927
1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 58455422
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-3-methyl-1-oxobutan-2-yl)-phenoxyamino]-oxophosphanium
CID 87402027
[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy thiohypoiodite
CID 144807349
[[1-(2,2-difluoroethoxy)-1-oxopropan-2-yl]-phenoxyamino]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-oxophosphanium
CID 87401423
[[1-(1,3-difluoropropan-2-yloxy)-1-oxopropan-2-yl]-phenoxyamino]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-oxophosphanium
CID 87402219
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-fluorophenoxy)-(1-methoxy-1-oxopropan-2-yl)amino]-oxophosphanium
CID 87402330
[[(2S)-1-cyclobutyloxy-1-oxopropan-2-yl]amino]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-oxophosphanium
CID 154930099

Frequently Asked Questions

What is the IUPAC name of [5-[(2,4-dioxopyrimidin-1-yl)methyl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(2-hydroxyphenoxy)-oxophosphanium?
The IUPAC name of [5-[(2,4-dioxopyrimidin-1-yl)methyl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(2-hydroxyphenoxy)-oxophosphanium (CID 147116304) is [5-[(2,4-dioxopyrimidin-1-yl)methyl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(2-hydroxyphenoxy)-oxophosphanium.
What is the SMILES notation for [5-[(2,4-dioxopyrimidin-1-yl)methyl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(2-hydroxyphenoxy)-oxophosphanium?
The canonical SMILES for [5-[(2,4-dioxopyrimidin-1-yl)methyl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(2-hydroxyphenoxy)-oxophosphanium is CC1(F)C(Cn2ccc(=O)[nH]c2=O)OC(CO[P+](=O)Oc2ccccc2O)C1O.
What is the InChIKey of [5-[(2,4-dioxopyrimidin-1-yl)methyl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(2-hydroxyphenoxy)-oxophosphanium?
The InChIKey is BWRJCBHOYYRAMH-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18FN2O8P/c1-17(18)13(8-20-7-6-14(22)19-16(20)24)27-12(15(17)23)9-26-29(25)28-11-5-3-2-4-10(11)21/h2-7,12-13,15,23H,8-9H2,1H3,(H-,19,21,22,24)/p+1.
What are the key properties of [5-[(2,4-dioxopyrimidin-1-yl)methyl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(2-hydroxyphenoxy)-oxophosphanium?
[5-[(2,4-dioxopyrimidin-1-yl)methyl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(2-hydroxyphenoxy)-oxophosphanium has a molecular weight of 429.32 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,4-dioxopyrimidin-1-yl)methyl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(2-hydroxyphenoxy)-oxophosphanium is sourced from PubChem (CID 147116304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).