1-[(2R,3R,4R,5R)-5-(deuteriomethyl)-4-[[1,1-difluoro-2-[(2R,3R,4R,5R)-4-fluoro-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl]-methylphosphoryl]oxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

C24H32F3N4O9P — CID 118055685

IUPAC1-[(2R,3R,4R,5R)-5-(deuteriomethyl)-4-[[1,1-difluoro-2-[(2R,3R,4R,5R)-4-fluoro-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl]-methylphosphoryl]oxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILES[2H]C[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](OC)[C@@H]1OP(C)(=O)C(F)(F)C[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](F)[C@@H]1C
InChIInChI=1S/C24H32F3N4O9P/c1-10-8-30(22(34)28-18(10)32)20-15(25)12(3)14(39-20)7-24(26,27)41(6,36)40-16-13(4)38-21(17(16)37-5)31-9-11(2)19(33)29-23(31)35/h8-9,12-17,20-21H,7H2,1-6H3,(H,28,32,34)(H,29,33,35)/t12-,13-,14-,15-,16-,17-,20-,21-,41?/m1/s1/i4D
InChIKeyFJSDBZRJOPHZMK-ANOMVBJUSA-N
MW609.51 g/mol
LogP1.78
Rot. Bonds9

About 1-[(2R,3R,4R,5R)-5-(deuteriomethyl)-4-[[1,1-difluoro-2-[(2R,3R,4R,5R)-4-fluoro-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl]-methylphosphoryl]oxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,3R,4R,5R)-5-(deuteriomethyl)-4-[[1,1-difluoro-2-[(2R,3R,4R,5R)-4-fluoro-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl]-methylphosphoryl]oxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 118055685) has the molecular formula C24H32F3N4O9P and a molecular weight of 609.51 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-5-(deuteriomethyl)-4-[[1,1-difluoro-2-[(2R,3R,4R,5R)-4-fluoro-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl]-methylphosphoryl]oxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-5-(deuteriomethyl)-4-[[1,1-difluoro-2-[(2R,3R,4R,5R)-4-fluoro-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl]-methylphosphoryl]oxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID118055685
Molecular FormulaC24H32F3N4O9P
Molecular Weight609.51 g/mol
Exact Mass609.19
IUPAC Name1-[(2R,3R,4R,5R)-5-(deuteriomethyl)-4-[[1,1-difluoro-2-[(2R,3R,4R,5R)-4-fluoro-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl]-methylphosphoryl]oxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILES[2H]C[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](OC)[C@@H]1OP(C)(=O)C(F)(F)C[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](F)[C@@H]1C
InChIInChI=1S/C24H32F3N4O9P/c1-10-8-30(22(34)28-18(10)32)20-15(25)12(3)14(39-20)7-24(26,27)41(6,36)40-16-13(4)38-21(17(16)37-5)31-9-11(2)19(33)29-23(31)35/h8-9,12-17,20-21H,7H2,1-6H3,(H,28,32,34)(H,29,33,35)/t12-,13-,14-,15-,16-,17-,20-,21-,41?/m1/s1/i4D
InChIKeyFJSDBZRJOPHZMK-ANOMVBJUSA-N
XLogP1.78
TPSA163.71 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.51
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1-[(2R,3R,4R,5R)-5-(deuteriomethyl)-4-[[1,1-difluoro-2-[(2R,3R,4R,5R)-4-fluoro-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl]-methylphosphoryl]oxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

1-[5-(2-diethoxyphosphorylethyl)-3-fluoro-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 90687616
1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 59957186
1-[(2R,5S)-4,5-bis(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 163539028
1-[(2R,3R,4S,5R)-5-(2-diethoxyphosphoryl-2,2-difluoroethyl)-3,4-dihydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 88880807
2-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-methylethanesulfonamide
CID 167509202
1-[5-(aminomethyl)-4-hydroxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 155887099
[(2R,3R,4S,5R)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 503020
1-[(2S,4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 166157772
(2S,3R,4S,5R)-4-fluoro-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde
CID 174114387
1-[(2R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 163573079
ethane;1-[5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 170577941
1-[(2R,5R)-5-ethyl-4-[hydroxy(methoxy)phosphinothioyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 88941491

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-5-(deuteriomethyl)-4-[[1,1-difluoro-2-[(2R,3R,4R,5R)-4-fluoro-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl]-methylphosphoryl]oxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,4R,5R)-5-(deuteriomethyl)-4-[[1,1-difluoro-2-[(2R,3R,4R,5R)-4-fluoro-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl]-methylphosphoryl]oxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 118055685) is 1-[(2R,3R,4R,5R)-5-(deuteriomethyl)-4-[[1,1-difluoro-2-[(2R,3R,4R,5R)-4-fluoro-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl]-methylphosphoryl]oxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-5-(deuteriomethyl)-4-[[1,1-difluoro-2-[(2R,3R,4R,5R)-4-fluoro-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl]-methylphosphoryl]oxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4R,5R)-5-(deuteriomethyl)-4-[[1,1-difluoro-2-[(2R,3R,4R,5R)-4-fluoro-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl]-methylphosphoryl]oxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione is [2H]C[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](OC)[C@@H]1OP(C)(=O)C(F)(F)C[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](F)[C@@H]1C.
What is the InChIKey of 1-[(2R,3R,4R,5R)-5-(deuteriomethyl)-4-[[1,1-difluoro-2-[(2R,3R,4R,5R)-4-fluoro-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl]-methylphosphoryl]oxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is FJSDBZRJOPHZMK-ANOMVBJUSA-N. The full InChI is InChI=1S/C24H32F3N4O9P/c1-10-8-30(22(34)28-18(10)32)20-15(25)12(3)14(39-20)7-24(26,27)41(6,36)40-16-13(4)38-21(17(16)37-5)31-9-11(2)19(33)29-23(31)35/h8-9,12-17,20-21H,7H2,1-6H3,(H,28,32,34)(H,29,33,35)/t12-,13-,14-,15-,16-,17-,20-,21-,41?/m1/s1/i4D.
What are the key properties of 1-[(2R,3R,4R,5R)-5-(deuteriomethyl)-4-[[1,1-difluoro-2-[(2R,3R,4R,5R)-4-fluoro-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl]-methylphosphoryl]oxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,3R,4R,5R)-5-(deuteriomethyl)-4-[[1,1-difluoro-2-[(2R,3R,4R,5R)-4-fluoro-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl]-methylphosphoryl]oxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 609.51 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5R)-5-(deuteriomethyl)-4-[[1,1-difluoro-2-[(2R,3R,4R,5R)-4-fluoro-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl]-methylphosphoryl]oxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 118055685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).