(2S)-N-[1-[(2R,3S,4S,5S)-4,5-dihydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide

C26H24N4O8 — CID 95370491

About (2S)-N-[1-[(2R,3S,4S,5S)-4,5-dihydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide

(2S)-N-[1-[(2R,3S,4S,5S)-4,5-dihydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide (PubChem CID 95370491) has the molecular formula C26H24N4O8 and a molecular weight of 520.50 g/mol. Its IUPAC name is (2S)-N-[1-[(2R,3S,4S,5S)-4,5-dihydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide.

Molecular Properties

• Compound Name: (2S)-N-[1-[(2R,3S,4S,5S)-4,5-dihydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
• PubChem CID: 95370491
• Molecular Formula: C26H24N4O8
• Molecular Weight: 520.50 g/mol
• Exact Mass: 520.16
• IUPAC Name: (2S)-N-[1-[(2R,3S,4S,5S)-4,5-dihydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
• SMILES: O=C(Nc1ccn([C@@H]2O[C@H](O)[C@@H](O)[C@@H]2CO)c(=O)n1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O
• InChI: InChI=1S/C26H24N4O8/c31-13-17-20(32)25(36)38-24(17)29-11-10-19(28-26(29)37)27-21(33)18(12-14-6-2-1-3-7-14)30-22(34)15-8-4-5-9-16(15)23(30)35/h1-11,17-18,20,24-25,31-32,36H,12-13H2,(H,27,28,33,37)/t17-,18-,20-,24+,25-/m0/s1
• InChIKey: OOBOLLXPOVFEIK-JDXHSLAUSA-N
• XLogP: -0.09
• TPSA: 171.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.50
LogP ≤ 5	-0.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-[(2R,3S,4S,5S)-4,5-dihydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?

The IUPAC name of (2S)-N-[1-[(2R,3S,4S,5S)-4,5-dihydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide (CID 95370491) is (2S)-N-[1-[(2R,3S,4S,5S)-4,5-dihydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide.

What is the SMILES notation for (2S)-N-[1-[(2R,3S,4S,5S)-4,5-dihydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?

The canonical SMILES for (2S)-N-[1-[(2R,3S,4S,5S)-4,5-dihydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide is O=C(Nc1ccn([C@@H]2O[C@H](O)[C@@H](O)[C@@H]2CO)c(=O)n1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.

What is the InChIKey of (2S)-N-[1-[(2R,3S,4S,5S)-4,5-dihydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?

The InChIKey is OOBOLLXPOVFEIK-JDXHSLAUSA-N. The full InChI is InChI=1S/C26H24N4O8/c31-13-17-20(32)25(36)38-24(17)29-11-10-19(28-26(29)37)27-21(33)18(12-14-6-2-1-3-7-14)30-22(34)15-8-4-5-9-16(15)23(30)35/h1-11,17-18,20,24-25,31-32,36H,12-13H2,(H,27,28,33,37)/t17-,18-,20-,24+,25-/m0/s1.

What are the key properties of (2S)-N-[1-[(2R,3S,4S,5S)-4,5-dihydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?

(2S)-N-[1-[(2R,3S,4S,5S)-4,5-dihydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide has a molecular weight of 520.50 g/mol, XLogP of -0.09, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[1-[(2R,3S,4S,5S)-4,5-dihydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 95370491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).