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

C76H97F3I2N6O32 — CID 159673779

About 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

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 (PubChem CID 159673779) has the molecular formula C76H97F3I2N6O32 and a molecular weight of 1917.42 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159673779
• Molecular Formula: C76H97F3I2N6O32
• Molecular Weight: 1917.42 g/mol
• Exact Mass: 1916.42
• IUPAC Name: 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
• SMILES: C=C1O[C@@H](N2C=CC(=O)CC2=O)[C@](C)(OC(C)=O)[C@@H]1C.CC(=O)O[C@@]1(C)[C@H](N2C=CC(=O)CC2=O)O[C@](F)(CI)[C@H]1C.CC[C@@]1(F)O[C@@H](N2C=CC(=O)CC2=O)[C@](C)(OC(C)=O)[C@@H]1C.C[C@@]1(O)[C@H](O)[C@@H](CI)O[C@H]1N1C=CC(=O)CC1=O.C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1N1C=CC(=O)CC1=O.C[C@]1(O)[C@H](N2C=CC(=O)CC2=O)O[C@](F)(CO)[C@H]1O
• InChI: InChI=1S/C15H20FNO5.C14H17FINO5.C14H17NO5.C11H14FNO6.C11H14INO5.C11H15NO6/c1-5-15(16)9(2)14(4,21-10(3)18)13(22-15)17-7-6-11(19)8-12(17)20;1-8-13(3,21-9(2)18)12(22-14(8,15)7-16)17-5-4-10(19)6-11(17)20;1-8-9(2)19-13(14(8,4)20-10(3)16)15-6-5-11(17)7-12(15)18;1-10(18)8(17)11(12,5-14)19-9(10)13-3-2-6(15)4-7(13)16;1-11(17)9(16)7(5-12)18-10(11)13-3-2-6(14)4-8(13)15;1-11(17)9(16)7(5-13)18-10(11)12-3-2-6(14)4-8(12)15/h6-7,9,13H,5,8H2,1-4H3;4-5,8,12H,6-7H2,1-3H3;5-6,8,13H,2,7H2,1,3-4H3;2-3,8-9,14,17-18H,4-5H2,1H3;2-3,7,9-10,16-17H,4-5H2,1H3;2-3,7,9-10,13,16-17H,4-5H2,1H3/t9-,13+,14+,15+;8-,12+,13+,14+;8-,13-,14-;8-,9+,10+,11+;2*7-,9-,10-,11-/m001011/s1
• InChIKey: MUILCIHTDFNGDP-DTDDJQTCSA-N
• XLogP: 0.67
• TPSA: 520.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 14
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1917.42
LogP ≤ 5	0.67
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C=C1O[C@@H](N2C=CC(=O)CC2=O)[C@](C)(OC(C)=O)[C@@H]1C.CC(=O)O[C@@]1(C)[C@H](N2C=CC(=O)CC2=O)O[C@](F)(CI)[C@H]1C.CC[C@@]1(F)O[C@@H](N2C=CC(=O)CC2=O)[C@](C)(OC(C)=O)[C@@H]1C.C[C@@]1(O)[C@H](O)[C@@H](CI)O[C@H]1N1C=CC(=O)CC1=O.C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1N1C=CC(=O)CC1=O.C[C@]1(O)[C@H](N2C=CC(=O)CC2=O)O[C@](F)(CO)[C@H]1O.

What is the InChIKey of 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?

The InChIKey is MUILCIHTDFNGDP-DTDDJQTCSA-N. The full InChI is InChI=1S/C15H20FNO5.C14H17FINO5.C14H17NO5.C11H14FNO6.C11H14INO5.C11H15NO6/c1-5-15(16)9(2)14(4,21-10(3)18)13(22-15)17-7-6-11(19)8-12(17)20;1-8-13(3,21-9(2)18)12(22-14(8,15)7-16)17-5-4-10(19)6-11(17)20;1-8-9(2)19-13(14(8,4)20-10(3)16)15-6-5-11(17)7-12(15)18;1-10(18)8(17)11(12,5-14)19-9(10)13-3-2-6(15)4-7(13)16;1-11(17)9(16)7(5-12)18-10(11)13-3-2-6(14)4-8(13)15;1-11(17)9(16)7(5-13)18-10(11)12-3-2-6(14)4-8(12)15/h6-7,9,13H,5,8H2,1-4H3;4-5,8,12H,6-7H2,1-3H3;5-6,8,13H,2,7H2,1,3-4H3;2-3,8-9,14,17-18H,4-5H2,1H3;2-3,7,9-10,16-17H,4-5H2,1H3;2-3,7,9-10,13,16-17H,4-5H2,1H3/t9-,13+,14+,15+;8-,12+,13+,14+;8-,13-,14-;8-,9+,10+,11+;2*7-,9-,10-,11-/m001011/s1.

What are the key properties of 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?

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 has a molecular weight of 1917.42 g/mol, XLogP of 0.67, 14 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159673779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).