1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyridine-2,4-dione

C64H81F4N9O29 — CID 159459988

IUPAC1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyridine-2,4-dione
SMILESCC1=CN([C@@H]2C[C@@H](O)[C@H](CO)O2)C(=O)CC1=O.CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)CC1=O.CC1=CN([C@H]2O[C@@H](CO)[C@H](O)C2F)C(=O)CC1=O.O=C1C=CN([C@@H]2C[C@@H](O)[C@H](CO)O2)C(=O)C1.O=C1C=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)C1.O=C1CC(=O)N([C@@H]2C[C@@H](O)[C@H](CO)O2)C=C1C(F)(F)F
InChIInChI=1S/C11H12F3NO5.C11H14FNO5.C11H14N4O4.C11H15NO5.2C10H13NO5/c12-11(13,14)5-3-15(9(19)1-6(5)17)10-2-7(18)8(4-16)20-10;1-5-3-13(8(16)2-6(5)15)11-9(12)10(17)7(4-14)18-11;1-6-4-15(10(18)3-8(6)17)11-2-7(13-14-12)9(5-16)19-11;1-6-4-12(10(16)2-7(6)14)11-3-8(15)9(5-13)17-11;2*12-5-8-7(14)4-10(16-8)11-2-1-6(13)3-9(11)15/h3,7-8,10,16,18H,1-2,4H2;3,7,9-11,14,17H,2,4H2,1H3;4,7,9,11,16H,2-3,5H2,1H3;4,8-9,11,13,15H,2-3,5H2,1H3;2*1-2,7-8,10,12,14H,3-5H2/t7-,8+,10+;7-,9?,10-,11-;7-,9+,11+;8-,9+,11+;2*7-,8+,10+/m100110/s1
InChIKeyLULWTBRLOXSUMB-SDNPWMMPSA-N
MW1516.38 g/mol
LogP-4.01
Rot. Bonds13

About 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyridine-2,4-dione

1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyridine-2,4-dione (PubChem CID 159459988) has the molecular formula C64H81F4N9O29 and a molecular weight of 1516.38 g/mol. Its IUPAC name is 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyridine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyridine-2,4-dione
PubChem CID159459988
Molecular FormulaC64H81F4N9O29
Molecular Weight1516.38 g/mol
Exact Mass1515.51
IUPAC Name1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyridine-2,4-dione
SMILESCC1=CN([C@@H]2C[C@@H](O)[C@H](CO)O2)C(=O)CC1=O.CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)CC1=O.CC1=CN([C@H]2O[C@@H](CO)[C@H](O)C2F)C(=O)CC1=O.O=C1C=CN([C@@H]2C[C@@H](O)[C@H](CO)O2)C(=O)C1.O=C1C=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)C1.O=C1CC(=O)N([C@@H]2C[C@@H](O)[C@H](CO)O2)C=C1C(F)(F)F
InChIInChI=1S/C11H12F3NO5.C11H14FNO5.C11H14N4O4.C11H15NO5.2C10H13NO5/c12-11(13,14)5-3-15(9(19)1-6(5)17)10-2-7(18)8(4-16)20-10;1-5-3-13(8(16)2-6(5)15)11-9(12)10(17)7(4-14)18-11;1-6-4-15(10(18)3-8(6)17)11-2-7(13-14-12)9(5-16)19-11;1-6-4-12(10(16)2-7(6)14)11-3-8(15)9(5-13)17-11;2*12-5-8-7(14)4-10(16-8)11-2-1-6(13)3-9(11)15/h3,7-8,10,16,18H,1-2,4H2;3,7,9-11,14,17H,2,4H2,1H3;4,7,9,11,16H,2-3,5H2,1H3;4,8-9,11,13,15H,2-3,5H2,1H3;2*1-2,7-8,10,12,14H,3-5H2/t7-,8+,10+;7-,9?,10-,11-;7-,9+,11+;8-,9+,11+;2*7-,8+,10+/m100110/s1
InChIKeyLULWTBRLOXSUMB-SDNPWMMPSA-N
XLogP-4.01
TPSA550.95 Ų
H-Bond Donors11
H-Bond Acceptors30
Rotatable Bonds13
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001516.38
LogP ≤ 5-4.01
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyridine-2,4-dione with MolForge

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Related Compounds

1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyridine-2,4-dione
CID 159459992
1-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione
CID 98044344
1-[(2R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6334745
1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-nitropyrimidine-2,4-dione
CID 86573293
4-amino-1-[(2S,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 26433555
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2,4,6,8,9,10-hexaoxa-1,3,5,7-tetrarsatricyclo[3.3.1.13,7]decane
CID 53239239
1-[(2R,4R,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-(trideuteriomethyl)pyrimidine-2,4-dione
CID 46780519
2-hydroxy-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one
CID 21036329
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxido-5-(trifluoromethyl)pyrazin-4-ium-2-one
CID 18650317
[(2R,3S,5R)-3-(4-chlorobenzoyl)oxy-5-[2,4-dioxo-5-(trifluoromethyl)-1-pyridinyl]oxolan-2-yl]methyl 4-chlorobenzoate
CID 161334237
1-[(2S,4R,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-piperidin-1-ylpyrimidin-2-one
CID 124891500
1-[(2R,4R,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-piperidin-1-ylpyrimidin-2-one
CID 95166387

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyridine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyridine-2,4-dione (CID 159459988) is 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyridine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyridine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyridine-2,4-dione is CC1=CN([C@@H]2C[C@@H](O)[C@H](CO)O2)C(=O)CC1=O.CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)CC1=O.CC1=CN([C@H]2O[C@@H](CO)[C@H](O)C2F)C(=O)CC1=O.O=C1C=CN([C@@H]2C[C@@H](O)[C@H](CO)O2)C(=O)C1.O=C1C=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)C1.O=C1CC(=O)N([C@@H]2C[C@@H](O)[C@H](CO)O2)C=C1C(F)(F)F.
What is the InChIKey of 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyridine-2,4-dione?
The InChIKey is LULWTBRLOXSUMB-SDNPWMMPSA-N. The full InChI is InChI=1S/C11H12F3NO5.C11H14FNO5.C11H14N4O4.C11H15NO5.2C10H13NO5/c12-11(13,14)5-3-15(9(19)1-6(5)17)10-2-7(18)8(4-16)20-10;1-5-3-13(8(16)2-6(5)15)11-9(12)10(17)7(4-14)18-11;1-6-4-15(10(18)3-8(6)17)11-2-7(13-14-12)9(5-16)19-11;1-6-4-12(10(16)2-7(6)14)11-3-8(15)9(5-13)17-11;2*12-5-8-7(14)4-10(16-8)11-2-1-6(13)3-9(11)15/h3,7-8,10,16,18H,1-2,4H2;3,7,9-11,14,17H,2,4H2,1H3;4,7,9,11,16H,2-3,5H2,1H3;4,8-9,11,13,15H,2-3,5H2,1H3;2*1-2,7-8,10,12,14H,3-5H2/t7-,8+,10+;7-,9?,10-,11-;7-,9+,11+;8-,9+,11+;2*7-,8+,10+/m100110/s1.
What are the key properties of 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyridine-2,4-dione?
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyridine-2,4-dione has a molecular weight of 1516.38 g/mol, XLogP of -4.01, 13 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione;1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyridine-2,4-dione is sourced from PubChem (CID 159459988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).