1-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R)-3-fluoro-4-hydroxy-3-methyl-5-methylideneoxolan-2-yl]pyridine-2,4-dione;methane

C84H119F11I3N9O29 — CID 160991449

IUPAC1-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R)-3-fluoro-4-hydroxy-3-methyl-5-methylideneoxolan-2-yl]pyridine-2,4-dione;methane
SMILESC.C.C.C.C.C.C.C=C1O[C@@H](N2C=CC(=O)CC2=O)[C@](C)(F)[C@@H]1O.C[C@@]1(F)[C@H](O)[C@@H](CI)O[C@H]1N1C=CC(=O)CC1=O.C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1N1C=CC(=O)CC1=O.C[C@H]1[C@@](C)(F)[C@H](N2C=CC(=O)CC2=O)O[C@]1(F)CI.C[C@H]1[C@@](C)(F)[C@H](n2ccc(=O)[nH]c2=O)O[C@]1(F)CO.C[C@]1(F)[C@H](N2C=CC(=O)CC2=O)O[C@](F)(CI)[C@H]1O.C[C@]1(F)[C@H](n2ccc(=O)[nH]c2=O)O[C@](F)(CO)[C@H]1O
InChIInChI=1S/C12H14F2INO3.C11H12F2INO4.C11H14F2N2O4.C11H13FINO4.C11H14FNO5.C11H12FNO4.C10H12F2N2O5.7CH4/c1-7-11(2,13)10(19-12(7,14)6-15)16-4-3-8(17)5-9(16)18;1-10(12)8(18)11(13,5-14)19-9(10)15-3-2-6(16)4-7(15)17;1-6-10(2,12)8(19-11(6,13)5-16)15-4-3-7(17)14-9(15)18;1-11(12)9(17)7(5-13)18-10(11)14-3-2-6(15)4-8(14)16;1-11(12)9(17)7(5-14)18-10(11)13-3-2-6(15)4-8(13)16;1-6-9(16)11(2,12)10(17-6)13-4-3-7(14)5-8(13)15;1-9(11)6(17)10(12,4-15)19-7(9)14-3-2-5(16)13-8(14)18;;;;;;;/h3-4,7,10H,5-6H2,1-2H3;2-3,8-9,18H,4-5H2,1H3;3-4,6,8,16H,5H2,1-2H3,(H,14,17,18);2-3,7,9-10,17H,4-5H2,1H3;2-3,7,9-10,14,17H,4-5H2,1H3;3-4,9-10,16H,1,5H2,2H3;2-3,6-7,15,17H,4H2,1H3,(H,13,16,18);7*1H4/t7-,10+,11+,12+;8-,9+,10+,11+;6-,8+,10+,11+;2*7-,9-,10-,11-;9-,10-,11-;6-,7+,9+,10+;;;;;;;/m0001110......./s1
InChIKeyTURKWHPOPYJCLD-VAQPFESWSA-N
MW2308.60 g/mol
LogP6.24
Rot. Bonds13

About 1-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R)-3-fluoro-4-hydroxy-3-methyl-5-methylideneoxolan-2-yl]pyridine-2,4-dione;methane

1-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R)-3-fluoro-4-hydroxy-3-methyl-5-methylideneoxolan-2-yl]pyridine-2,4-dione;methane (PubChem CID 160991449) has the molecular formula C84H119F11I3N9O29 and a molecular weight of 2308.60 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R)-3-fluoro-4-hydroxy-3-methyl-5-methylideneoxolan-2-yl]pyridine-2,4-dione;methane.

Molecular Properties

Compound Name1-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R)-3-fluoro-4-hydroxy-3-methyl-5-methylideneoxolan-2-yl]pyridine-2,4-dione;methane
PubChem CID160991449
Molecular FormulaC84H119F11I3N9O29
Molecular Weight2308.60 g/mol
Exact Mass2307.51
IUPAC Name1-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R)-3-fluoro-4-hydroxy-3-methyl-5-methylideneoxolan-2-yl]pyridine-2,4-dione;methane
SMILESC.C.C.C.C.C.C.C=C1O[C@@H](N2C=CC(=O)CC2=O)[C@](C)(F)[C@@H]1O.C[C@@]1(F)[C@H](O)[C@@H](CI)O[C@H]1N1C=CC(=O)CC1=O.C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1N1C=CC(=O)CC1=O.C[C@H]1[C@@](C)(F)[C@H](N2C=CC(=O)CC2=O)O[C@]1(F)CI.C[C@H]1[C@@](C)(F)[C@H](n2ccc(=O)[nH]c2=O)O[C@]1(F)CO.C[C@]1(F)[C@H](N2C=CC(=O)CC2=O)O[C@](F)(CI)[C@H]1O.C[C@]1(F)[C@H](n2ccc(=O)[nH]c2=O)O[C@](F)(CO)[C@H]1O
InChIInChI=1S/C12H14F2INO3.C11H12F2INO4.C11H14F2N2O4.C11H13FINO4.C11H14FNO5.C11H12FNO4.C10H12F2N2O5.7CH4/c1-7-11(2,13)10(19-12(7,14)6-15)16-4-3-8(17)5-9(16)18;1-10(12)8(18)11(13,5-14)19-9(10)15-3-2-6(16)4-7(15)17;1-6-10(2,12)8(19-11(6,13)5-16)15-4-3-7(17)14-9(15)18;1-11(12)9(17)7(5-13)18-10(11)14-3-2-6(15)4-8(14)16;1-11(12)9(17)7(5-14)18-10(11)13-3-2-6(15)4-8(13)16;1-6-9(16)11(2,12)10(17-6)13-4-3-7(14)5-8(13)15;1-9(11)6(17)10(12,4-15)19-7(9)14-3-2-5(16)13-8(14)18;;;;;;;/h3-4,7,10H,5-6H2,1-2H3;2-3,8-9,18H,4-5H2,1H3;3-4,6,8,16H,5H2,1-2H3,(H,14,17,18);2-3,7,9-10,17H,4-5H2,1H3;2-3,7,9-10,14,17H,4-5H2,1H3;3-4,9-10,16H,1,5H2,2H3;2-3,6-7,15,17H,4H2,1H3,(H,13,16,18);7*1H4/t7-,10+,11+,12+;8-,9+,10+,11+;6-,8+,10+,11+;2*7-,9-,10-,11-;9-,10-,11-;6-,7+,9+,10+;;;;;;;/m0001110......./s1
InChIKeyTURKWHPOPYJCLD-VAQPFESWSA-N
XLogP6.24
TPSA523.07 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds13
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002308.60
LogP ≤ 56.24
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R)-3-fluoro-4-hydroxy-3-methyl-5-methylideneoxolan-2-yl]pyridine-2,4-dione;methane with MolForge

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Launch Full Analysis

Related Compounds

CID 161097869
CID 161097869
1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;[(2R,3R,4R)-2-(2,4-dioxo-1-pyridinyl)-3,4-dimethyl-5-methylideneoxolan-3-yl] acetate;[(2R,3R,4S,5S)-2-(2,4-dioxo-1-pyridinyl)-5-ethyl-5-fluoro-3,4-dimethyloxolan-3-yl] acetate;[(2R,3R,4S,5R)-2-(2,4-dioxo-1-pyridinyl)-5-fluoro-5-(iodomethyl)-3,4-dimethyloxolan-3-yl] acetate;1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione
CID 159673779
1-[(2R,3R,4R)-3-fluoro-4-hydroxy-3-methyl-5-methylideneoxolan-2-yl]pyridine-2,4-dione
CID 158127425
1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 58455422
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5R)-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R)-3-fluoro-4-hydroxy-3-methyl-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione
CID 159894087
1-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 163602182
1-[(3aR,4R,6R,6aR)-3a-ethynyl-6-(hydroxymethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-3a-ethynyl-6-(iodomethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-3a-ethynylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyridine-2,4-dione;[(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-ethynyl-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S)-3-ethynyl-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione
CID 161257686
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-(trideuterio(113C)methyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 58463518
bis(1-[(6aS,8R,9R,9aS)-6a-fluoro-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,8,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione);1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S)-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;1-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 161070778
1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-(113C)methyloxolan-2-yl]pyrimidine-2,4-dione
CID 134258297
1-[(2R,3S,5R)-3-bromo-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 130322404
1-[(2R,4R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 129150342

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R)-3-fluoro-4-hydroxy-3-methyl-5-methylideneoxolan-2-yl]pyridine-2,4-dione;methane?
The IUPAC name of 1-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R)-3-fluoro-4-hydroxy-3-methyl-5-methylideneoxolan-2-yl]pyridine-2,4-dione;methane (CID 160991449) is 1-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R)-3-fluoro-4-hydroxy-3-methyl-5-methylideneoxolan-2-yl]pyridine-2,4-dione;methane.
What is the SMILES notation for 1-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R)-3-fluoro-4-hydroxy-3-methyl-5-methylideneoxolan-2-yl]pyridine-2,4-dione;methane?
The canonical SMILES for 1-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R)-3-fluoro-4-hydroxy-3-methyl-5-methylideneoxolan-2-yl]pyridine-2,4-dione;methane is C.C.C.C.C.C.C.C=C1O[C@@H](N2C=CC(=O)CC2=O)[C@](C)(F)[C@@H]1O.C[C@@]1(F)[C@H](O)[C@@H](CI)O[C@H]1N1C=CC(=O)CC1=O.C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1N1C=CC(=O)CC1=O.C[C@H]1[C@@](C)(F)[C@H](N2C=CC(=O)CC2=O)O[C@]1(F)CI.C[C@H]1[C@@](C)(F)[C@H](n2ccc(=O)[nH]c2=O)O[C@]1(F)CO.C[C@]1(F)[C@H](N2C=CC(=O)CC2=O)O[C@](F)(CI)[C@H]1O.C[C@]1(F)[C@H](n2ccc(=O)[nH]c2=O)O[C@](F)(CO)[C@H]1O.
What is the InChIKey of 1-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R)-3-fluoro-4-hydroxy-3-methyl-5-methylideneoxolan-2-yl]pyridine-2,4-dione;methane?
The InChIKey is TURKWHPOPYJCLD-VAQPFESWSA-N. The full InChI is InChI=1S/C12H14F2INO3.C11H12F2INO4.C11H14F2N2O4.C11H13FINO4.C11H14FNO5.C11H12FNO4.C10H12F2N2O5.7CH4/c1-7-11(2,13)10(19-12(7,14)6-15)16-4-3-8(17)5-9(16)18;1-10(12)8(18)11(13,5-14)19-9(10)15-3-2-6(16)4-7(15)17;1-6-10(2,12)8(19-11(6,13)5-16)15-4-3-7(17)14-9(15)18;1-11(12)9(17)7(5-13)18-10(11)14-3-2-6(15)4-8(14)16;1-11(12)9(17)7(5-14)18-10(11)13-3-2-6(15)4-8(13)16;1-6-9(16)11(2,12)10(17-6)13-4-3-7(14)5-8(13)15;1-9(11)6(17)10(12,4-15)19-7(9)14-3-2-5(16)13-8(14)18;;;;;;;/h3-4,7,10H,5-6H2,1-2H3;2-3,8-9,18H,4-5H2,1H3;3-4,6,8,16H,5H2,1-2H3,(H,14,17,18);2-3,7,9-10,17H,4-5H2,1H3;2-3,7,9-10,14,17H,4-5H2,1H3;3-4,9-10,16H,1,5H2,2H3;2-3,6-7,15,17H,4H2,1H3,(H,13,16,18);7*1H4/t7-,10+,11+,12+;8-,9+,10+,11+;6-,8+,10+,11+;2*7-,9-,10-,11-;9-,10-,11-;6-,7+,9+,10+;;;;;;;/m0001110......./s1.
What are the key properties of 1-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R)-3-fluoro-4-hydroxy-3-methyl-5-methylideneoxolan-2-yl]pyridine-2,4-dione;methane?
1-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R)-3-fluoro-4-hydroxy-3-methyl-5-methylideneoxolan-2-yl]pyridine-2,4-dione;methane has a molecular weight of 2308.60 g/mol, XLogP of 6.24, 13 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(iodomethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;1-[(2R,3R,4R)-3-fluoro-4-hydroxy-3-methyl-5-methylideneoxolan-2-yl]pyridine-2,4-dione;methane is sourced from PubChem (CID 160991449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).