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

C20H23N5O11S — CID 89386745

About (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1,3-thiazol-2-yl)-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-(hydroxymethyl)oxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 89386745) has the molecular formula C20H23N5O11S and a molecular weight of 541.50 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-(hydroxymethyl)oxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1,3-thiazol-2-yl)-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-(hydroxymethyl)oxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
• PubChem CID: 89386745
• Molecular Formula: C20H23N5O11S
• Molecular Weight: 541.50 g/mol
• Exact Mass: 541.11
• IUPAC Name: (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
• SMILES: NC(=O)[C@H](O[C@H]1OC(C(=O)Nc2nccs2)=C[C@H](O)[C@@H]1O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1CO
• InChI: InChI=1S/C20H23N5O11S/c21-15(31)14(13-7(6-26)11(29)17(35-13)25-3-1-10(28)23-20(25)33)36-18-12(30)8(27)5-9(34-18)16(32)24-19-22-2-4-37-19/h1-5,7-8,11-14,17-18,26-27,29-30H,6H2,(H2,21,31)(H,22,24,32)(H,23,28,33)/t7-,8-,11+,12-,13-,14+,17+,18+/m0/s1
• InChIKey: WEQIOEGWCNQJTA-NYHSJYPYSA-N
• XLogP: -3.67
• TPSA: 248.55 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	541.50
LogP ≤ 5	-3.67
H-Bond Donors ≤ 5	7
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-(hydroxymethyl)oxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1,3-thiazol-2-yl)-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-(hydroxymethyl)oxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 89386745) is (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1,3-thiazol-2-yl)-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-(hydroxymethyl)oxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1,3-thiazol-2-yl)-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-(hydroxymethyl)oxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide is NC(=O)[C@H](O[C@H]1OC(C(=O)Nc2nccs2)=C[C@H](O)[C@@H]1O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1CO.

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-(hydroxymethyl)oxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide?

The InChIKey is WEQIOEGWCNQJTA-NYHSJYPYSA-N. The full InChI is InChI=1S/C20H23N5O11S/c21-15(31)14(13-7(6-26)11(29)17(35-13)25-3-1-10(28)23-20(25)33)36-18-12(30)8(27)5-9(34-18)16(32)24-19-22-2-4-37-19/h1-5,7-8,11-14,17-18,26-27,29-30H,6H2,(H2,21,31)(H,22,24,32)(H,23,28,33)/t7-,8-,11+,12-,13-,14+,17+,18+/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-(hydroxymethyl)oxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1,3-thiazol-2-yl)-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-(hydroxymethyl)oxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 541.50 g/mol, XLogP of -3.67, 8 rotatable bonds, 7 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-(hydroxymethyl)oxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 89386745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).