[[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

C40H64F4N8O60P12 — CID 159662179

IUPAC[[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SMILESO=c1[nH]c(=O)n([C@@H]2O[C@](F)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]2O)cc1CO.[2H]C([2H])(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@]1(F)C[C@@H](O)[C@H](n2cc(CO)c(=O)[nH]c2=O)O1.[2H]C([2H])(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@]1(F)C[C@@H](O)[C@]([2H])(n2cc(CO)c(=O)[nH]c2=O)O1.[2H][C@@]1(n2cc(CO)c(=O)[nH]c2=O)O[C@](F)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]1O
InChIInChI=1S/4C10H16FN2O15P3/c4*11-10(4-25-30(21,22)28-31(23,24)27-29(18,19)20)1-6(15)8(26-10)13-2-5(3-14)7(16)12-9(13)17/h4*2,6,8,14-15H,1,3-4H2,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t4*6-,8-,10+/m1111/s1/i4D2,8D;8D;4D2;
InChIKeyMSYJPXNIMZFOFW-FLPAKSBKSA-N
MW2070.66 g/mol
LogP-6.73
Rot. Bonds36

About [[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

[[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (PubChem CID 159662179) has the molecular formula C40H64F4N8O60P12 and a molecular weight of 2070.66 g/mol. Its IUPAC name is [[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.

Molecular Properties

Compound Name[[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
PubChem CID159662179
Molecular FormulaC40H64F4N8O60P12
Molecular Weight2070.66 g/mol
Exact Mass2069.94
IUPAC Name[[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SMILESO=c1[nH]c(=O)n([C@@H]2O[C@](F)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]2O)cc1CO.[2H]C([2H])(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@]1(F)C[C@@H](O)[C@H](n2cc(CO)c(=O)[nH]c2=O)O1.[2H]C([2H])(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@]1(F)C[C@@H](O)[C@]([2H])(n2cc(CO)c(=O)[nH]c2=O)O1.[2H][C@@]1(n2cc(CO)c(=O)[nH]c2=O)O[C@](F)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]1O
InChIInChI=1S/4C10H16FN2O15P3/c4*11-10(4-25-30(21,22)28-31(23,24)27-29(18,19)20)1-6(15)8(26-10)13-2-5(3-14)7(16)12-9(13)17/h4*2,6,8,14-15H,1,3-4H2,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t4*6-,8-,10+/m1111/s1/i4D2,8D;8D;4D2;
InChIKeyMSYJPXNIMZFOFW-FLPAKSBKSA-N
XLogP-6.73
TPSA1057.48 Ų
H-Bond Donors28
H-Bond Acceptors48
Rotatable Bonds36
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002070.66
LogP ≤ 5-6.73
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze [[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate with MolForge

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Related Compounds

[[dideuterio-[(2R,4R,5R)-2-fluoro-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 161341459
[(2R,4R,5R)-5-deuterio-2-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CID 159794927
[dideuterio-[(2R,4R,5R)-5-deuterio-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-4-hydroxyoxolan-2-yl]methyl] phosphono hydrogen phosphate
CID 160997388
[(2S,3S,4R,5R)-5-(5-chloro-2,4-dioxopyrimidin-1-yl)-5-deuterio-2-fluoro-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CID 157405772
1-[(2R,3R,5R)-2-deuterio-5-[dideuterio-[(6,8-ditert-butyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione
CID 171581086
1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione
CID 153341936
1-[(2R,3R,5R)-2-deuterio-5-[dideuterio-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione;1-[(2R,3R,5R)-2-deuterio-5-fluoro-3-hydroxy-5-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione;1-[(2R,3R,5R)-5-[dideuterio-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione;5-fluoro-1-[(2R,3R,5R)-5-fluoro-3-hydroxy-5-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 161060616
1-[(2R,3R,5R)-2-deuterio-5-[dideuterio-[(8-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione;1-[(2R,3R,5R)-2-deuterio-5-fluoro-3-hydroxy-5-[(8-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione;1-[(2R,3R,5R)-5-[dideuterio-[(8-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione;5-fluoro-1-[(2R,3R,5R)-5-fluoro-3-hydroxy-5-[(8-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 157056977
5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 159418519
[[4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 123334891
[[(1R,3R,4R,7S)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-7-hydroxy-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 90125326
1-[(2R,3R,5R)-2-deuterio-5-[dideuterio-[(8-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]-2,4-dioxopyrimidine-5-carbaldehyde;1-[(2R,3R,5R)-2-deuterio-5-fluoro-3-hydroxy-5-[(8-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidine-5-carbaldehyde;1-[(2R,3R,5R)-5-[dideuterio-[(8-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]-2,4-dioxopyrimidine-5-carbaldehyde;1-[(2R,3R,5R)-5-fluoro-3-hydroxy-5-[(8-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidine-5-carbaldehyde
CID 159000313

Frequently Asked Questions

What is the IUPAC name of [[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
The IUPAC name of [[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (CID 159662179) is [[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
What is the SMILES notation for [[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
The canonical SMILES for [[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is O=c1[nH]c(=O)n([C@@H]2O[C@](F)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]2O)cc1CO.[2H]C([2H])(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@]1(F)C[C@@H](O)[C@H](n2cc(CO)c(=O)[nH]c2=O)O1.[2H]C([2H])(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@]1(F)C[C@@H](O)[C@]([2H])(n2cc(CO)c(=O)[nH]c2=O)O1.[2H][C@@]1(n2cc(CO)c(=O)[nH]c2=O)O[C@](F)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]1O.
What is the InChIKey of [[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
The InChIKey is MSYJPXNIMZFOFW-FLPAKSBKSA-N. The full InChI is InChI=1S/4C10H16FN2O15P3/c4*11-10(4-25-30(21,22)28-31(23,24)27-29(18,19)20)1-6(15)8(26-10)13-2-5(3-14)7(16)12-9(13)17/h4*2,6,8,14-15H,1,3-4H2,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t4*6-,8-,10+/m1111/s1/i4D2,8D;8D;4D2;.
What are the key properties of [[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
[[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate has a molecular weight of 2070.66 g/mol, XLogP of -6.73, 36 rotatable bonds, 28 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-5-deuterio-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[dideuterio-[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,4R,5R)-2-fluoro-4-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is sourced from PubChem (CID 159662179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).