(2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(4-fluoro-3-methylphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide

C24H27FN4O11 — CID 58777268

About (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(4-fluoro-3-methylphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide

(2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(4-fluoro-3-methylphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 58777268) has the molecular formula C24H27FN4O11 and a molecular weight of 566.50 g/mol. Its IUPAC name is (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(4-fluoro-3-methylphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

• Compound Name: (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(4-fluoro-3-methylphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
• PubChem CID: 58777268
• Molecular Formula: C24H27FN4O11
• Molecular Weight: 566.50 g/mol
• Exact Mass: 566.17
• IUPAC Name: (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(4-fluoro-3-methylphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
• SMILES: CO[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1[C@@H](O[C@H]1OC(C(=O)Nc2ccc(F)c(C)c2)=C[C@H](O)[C@@H]1O)C(N)=O
• InChI: InChI=1S/C24H27FN4O11/c1-9-7-10(3-4-11(9)25)27-21(35)13-8-12(30)15(32)23(38-13)40-19(20(26)34)18-17(37-2)16(33)22(39-18)29-6-5-14(31)28-24(29)36/h3-8,12,15-19,22-23,30,32-33H,1-2H3,(H2,26,34)(H,27,35)(H,28,31,36)/t12-,15-,16+,17-,18-,19+,22+,23+/m0/s1
• InChIKey: HEVUOZVNIQDIQR-RYQUHRKNSA-N
• XLogP: -2.27
• TPSA: 224.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	566.50
LogP ≤ 5	-2.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(4-fluoro-3-methylphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide?

The IUPAC name of (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(4-fluoro-3-methylphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide (CID 58777268) is (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(4-fluoro-3-methylphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide.

What is the SMILES notation for (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(4-fluoro-3-methylphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide?

The canonical SMILES for (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(4-fluoro-3-methylphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide is CO[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1[C@@H](O[C@H]1OC(C(=O)Nc2ccc(F)c(C)c2)=C[C@H](O)[C@@H]1O)C(N)=O.

What is the InChIKey of (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(4-fluoro-3-methylphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide?

The InChIKey is HEVUOZVNIQDIQR-RYQUHRKNSA-N. The full InChI is InChI=1S/C24H27FN4O11/c1-9-7-10(3-4-11(9)25)27-21(35)13-8-12(30)15(32)23(38-13)40-19(20(26)34)18-17(37-2)16(33)22(39-18)29-6-5-14(31)28-24(29)36/h3-8,12,15-19,22-23,30,32-33H,1-2H3,(H2,26,34)(H,27,35)(H,28,31,36)/t12-,15-,16+,17-,18-,19+,22+,23+/m0/s1.

What are the key properties of (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(4-fluoro-3-methylphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide?

(2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(4-fluoro-3-methylphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 566.50 g/mol, XLogP of -2.27, 8 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(4-fluoro-3-methylphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 58777268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).