(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-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide

C24H31N5O11S — CID 5496296

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-tert-butyl-1,3-thiazol-2-yl)-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-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 5496296) has the molecular formula C24H31N5O11S and a molecular weight of 597.60 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-tert-butyl-1,3-thiazol-2-yl)-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-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
• PubChem CID: 5496296
• Molecular Formula: C24H31N5O11S
• Molecular Weight: 597.60 g/mol
• Exact Mass: 597.17
• 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-tert-butyl-1,3-thiazol-2-yl)-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)Nc2nc(C(C)(C)C)cs2)=C[C@H](O)[C@@H]1O)C(N)=O
• InChI: InChI=1S/C24H31N5O11S/c1-24(2,3)11-8-41-22(26-11)28-19(35)10-7-9(30)13(32)21(38-10)40-17(18(25)34)16-15(37-4)14(33)20(39-16)29-6-5-12(31)27-23(29)36/h5-9,13-17,20-21,30,32-33H,1-4H3,(H2,25,34)(H,26,28,35)(H,27,31,36)/t9-,13-,14+,15-,16-,17+,20+,21+/m0/s1
• InChIKey: LCQWKPWPNWSSBL-LGARMCAYSA-N
• XLogP: -1.96
• TPSA: 237.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	597.60
LogP ≤ 5	-1.96
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

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-tert-butyl-1,3-thiazol-2-yl)-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-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide (CID 5496296) 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-tert-butyl-1,3-thiazol-2-yl)-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-tert-butyl-1,3-thiazol-2-yl)-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-tert-butyl-1,3-thiazol-2-yl)-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)Nc2nc(C(C)(C)C)cs2)=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-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide?

The InChIKey is LCQWKPWPNWSSBL-LGARMCAYSA-N. The full InChI is InChI=1S/C24H31N5O11S/c1-24(2,3)11-8-41-22(26-11)28-19(35)10-7-9(30)13(32)21(38-10)40-17(18(25)34)16-15(37-4)14(33)20(39-16)29-6-5-12(31)27-23(29)36/h5-9,13-17,20-21,30,32-33H,1-4H3,(H2,25,34)(H,26,28,35)(H,27,31,36)/t9-,13-,14+,15-,16-,17+,20+,21+/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-tert-butyl-1,3-thiazol-2-yl)-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-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 597.60 g/mol, XLogP of -1.96, 8 rotatable bonds, 6 hydrogen bond donors, and 14 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-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 5496296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).