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

C22H25N3O10 — CID 71222102

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

(2S,3S,4S)-2-[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)oxolan-2-yl]methoxy]-3,4-dihydroxy-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 71222102) has the molecular formula C22H25N3O10 and a molecular weight of 491.45 g/mol. Its IUPAC name is (2S,3S,4S)-2-[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)oxolan-2-yl]methoxy]-3,4-dihydroxy-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

• Compound Name: (2S,3S,4S)-2-[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)oxolan-2-yl]methoxy]-3,4-dihydroxy-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
• PubChem CID: 71222102
• Molecular Formula: C22H25N3O10
• Molecular Weight: 491.45 g/mol
• Exact Mass: 491.15
• IUPAC Name: (2S,3S,4S)-2-[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)oxolan-2-yl]methoxy]-3,4-dihydroxy-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
• SMILES: O=C(Nc1ccccc1)C1=C[C@H](O)[C@H](O)[C@@H](OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2CO)O1
• InChI: InChI=1S/C22H25N3O10/c26-9-12-15(34-20(17(12)29)25-7-6-16(28)24-22(25)32)10-33-21-18(30)13(27)8-14(35-21)19(31)23-11-4-2-1-3-5-11/h1-8,12-13,15,17-18,20-21,26-27,29-30H,9-10H2,(H,23,31)(H,24,28,32)/t12-,13+,15-,17-,18+,20-,21+/m1/s1
• InChIKey: IFPCUFQNJSGBNP-SVMIYLRZSA-N
• XLogP: -1.98
• TPSA: 192.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	491.45
LogP ≤ 5	-1.98
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-2-[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)oxolan-2-yl]methoxy]-3,4-dihydroxy-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?

The IUPAC name of (2S,3S,4S)-2-[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)oxolan-2-yl]methoxy]-3,4-dihydroxy-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 71222102) is (2S,3S,4S)-2-[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)oxolan-2-yl]methoxy]-3,4-dihydroxy-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.

What is the SMILES notation for (2S,3S,4S)-2-[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)oxolan-2-yl]methoxy]-3,4-dihydroxy-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?

The canonical SMILES for (2S,3S,4S)-2-[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)oxolan-2-yl]methoxy]-3,4-dihydroxy-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is O=C(Nc1ccccc1)C1=C[C@H](O)[C@H](O)[C@@H](OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2CO)O1.

What is the InChIKey of (2S,3S,4S)-2-[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)oxolan-2-yl]methoxy]-3,4-dihydroxy-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?

The InChIKey is IFPCUFQNJSGBNP-SVMIYLRZSA-N. The full InChI is InChI=1S/C22H25N3O10/c26-9-12-15(34-20(17(12)29)25-7-6-16(28)24-22(25)32)10-33-21-18(30)13(27)8-14(35-21)19(31)23-11-4-2-1-3-5-11/h1-8,12-13,15,17-18,20-21,26-27,29-30H,9-10H2,(H,23,31)(H,24,28,32)/t12-,13+,15-,17-,18+,20-,21+/m1/s1.

What are the key properties of (2S,3S,4S)-2-[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)oxolan-2-yl]methoxy]-3,4-dihydroxy-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?

(2S,3S,4S)-2-[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)oxolan-2-yl]methoxy]-3,4-dihydroxy-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 491.45 g/mol, XLogP of -1.98, 7 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S)-2-[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)oxolan-2-yl]methoxy]-3,4-dihydroxy-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 71222102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).