[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(2S)-2-methyl-3-oxo-3-propan-2-yloxypropyl]-oxophosphanium

C17H24F2N2O8P+ — CID 159846945

IUPAC[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(2S)-2-methyl-3-oxo-3-propan-2-yloxypropyl]-oxophosphanium
SMILESCC(C)OC(=O)[C@H](C)C[P+](=O)OC[C@@]1(F)O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O
InChIInChI=1S/C17H23F2N2O8P/c1-9(2)28-12(23)10(3)7-30(26)27-8-17(19)13(24)16(4,18)14(29-17)21-6-5-11(22)20-15(21)25/h5-6,9-10,13-14,24H,7-8H2,1-4H3/p+1/t10-,13+,14-,16-,17-/m1/s1
InChIKeyHMWPBGBGQOJJKQ-MQDPRIHCSA-O
MW453.36 g/mol
LogP1.17
Rot. Bonds8

About [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(2S)-2-methyl-3-oxo-3-propan-2-yloxypropyl]-oxophosphanium

[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(2S)-2-methyl-3-oxo-3-propan-2-yloxypropyl]-oxophosphanium (PubChem CID 159846945) has the molecular formula C17H24F2N2O8P+ and a molecular weight of 453.36 g/mol. Its IUPAC name is [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(2S)-2-methyl-3-oxo-3-propan-2-yloxypropyl]-oxophosphanium.

Molecular Properties

Compound Name[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(2S)-2-methyl-3-oxo-3-propan-2-yloxypropyl]-oxophosphanium
PubChem CID159846945
Molecular FormulaC17H24F2N2O8P+
Molecular Weight453.36 g/mol
Exact Mass453.12
IUPAC Name[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(2S)-2-methyl-3-oxo-3-propan-2-yloxypropyl]-oxophosphanium
SMILESCC(C)OC(=O)[C@H](C)C[P+](=O)OC[C@@]1(F)O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O
InChIInChI=1S/C17H23F2N2O8P/c1-9(2)28-12(23)10(3)7-30(26)27-8-17(19)13(24)16(4,18)14(29-17)21-6-5-11(22)20-15(21)25/h5-6,9-10,13-14,24H,7-8H2,1-4H3/p+1/t10-,13+,14-,16-,17-/m1/s1
InChIKeyHMWPBGBGQOJJKQ-MQDPRIHCSA-O
XLogP1.17
TPSA136.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(2S)-2-methyl-3-oxo-3-propan-2-yloxypropyl]-oxophosphanium with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 163602182
[[(2S,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-ethynyl-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
CID 118596044
[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
CID 137453953
propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 90248056
[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-ethynyl-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-[[hydroxy(propan-2-yloxy)methoxy]methoxy]phosphoryl]oxymethyl propan-2-yl carbonate
CID 137381044
propan-2-yl (2S)-2-[[[(2S,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxymethyl-phenoxyphosphoryl]amino]propanoate
CID 132586839
propan-2-yl (2S)-2-[[[(2S,3S,5S)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxymethyl-phenoxyphosphoryl]amino]propanoate
CID 125154549
propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphinothioyl]amino]propanoate
CID 144746837
propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-ethynylphosphoryl]amino]propanoate
CID 90765999
propan-2-yl 2-[[[(2S,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-propa-1,2-dienyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 118595978
propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-propa-1,2-dienyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 123961240
[[5-(2,4-dioxopyrimidin-1-yl)-2,4-difluoro-4-methyloxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
CID 123399851

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(2S)-2-methyl-3-oxo-3-propan-2-yloxypropyl]-oxophosphanium?
The IUPAC name of [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(2S)-2-methyl-3-oxo-3-propan-2-yloxypropyl]-oxophosphanium (CID 159846945) is [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(2S)-2-methyl-3-oxo-3-propan-2-yloxypropyl]-oxophosphanium.
What is the SMILES notation for [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(2S)-2-methyl-3-oxo-3-propan-2-yloxypropyl]-oxophosphanium?
The canonical SMILES for [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(2S)-2-methyl-3-oxo-3-propan-2-yloxypropyl]-oxophosphanium is CC(C)OC(=O)[C@H](C)C[P+](=O)OC[C@@]1(F)O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O.
What is the InChIKey of [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(2S)-2-methyl-3-oxo-3-propan-2-yloxypropyl]-oxophosphanium?
The InChIKey is HMWPBGBGQOJJKQ-MQDPRIHCSA-O. The full InChI is InChI=1S/C17H23F2N2O8P/c1-9(2)28-12(23)10(3)7-30(26)27-8-17(19)13(24)16(4,18)14(29-17)21-6-5-11(22)20-15(21)25/h5-6,9-10,13-14,24H,7-8H2,1-4H3/p+1/t10-,13+,14-,16-,17-/m1/s1.
What are the key properties of [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(2S)-2-methyl-3-oxo-3-propan-2-yloxypropyl]-oxophosphanium?
[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(2S)-2-methyl-3-oxo-3-propan-2-yloxypropyl]-oxophosphanium has a molecular weight of 453.36 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(2S)-2-methyl-3-oxo-3-propan-2-yloxypropyl]-oxophosphanium is sourced from PubChem (CID 159846945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).