4-[3-[[(2R,3R,4R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]methyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboxylic acid

C24H26F3N5O8 — CID 164519030

About 4-[3-[[(2R,3R,4R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]methyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboxylic acid

4-[3-[[(2R,3R,4R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]methyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboxylic acid (PubChem CID 164519030) has the molecular formula C24H26F3N5O8 and a molecular weight of 569.49 g/mol. Its IUPAC name is 4-[3-[[(2R,3R,4R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]methyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[3-[[(2R,3R,4R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]methyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboxylic acid
• PubChem CID: 164519030
• Molecular Formula: C24H26F3N5O8
• Molecular Weight: 569.49 g/mol
• Exact Mass: 569.17
• IUPAC Name: 4-[3-[[(2R,3R,4R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]methyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboxylic acid
• SMILES: O=C(O)N1CCC(O)(c2cc(C[C@H]3O[C@H](CO)[C@H](O)[C@H](n4cc(-c5cc(F)c(F)c(F)c5)nn4)[C@H]3O)no2)CC1
• InChI: InChI=1S/C24H26F3N5O8/c25-13-5-11(6-14(26)19(13)27)15-9-32(30-28-15)20-21(34)16(39-17(10-33)22(20)35)7-12-8-18(40-29-12)24(38)1-3-31(4-2-24)23(36)37/h5-6,8-9,16-17,20-22,33-35,38H,1-4,7,10H2,(H,36,37)/t16-,17-,20-,21+,22+/m1/s1
• InChIKey: FLFZAOLQOGSYRM-SRBMLKMVSA-N
• XLogP: 0.58
• TPSA: 187.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.49
LogP ≤ 5	0.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(2R,3R,4R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]methyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboxylic acid?

The IUPAC name of 4-[3-[[(2R,3R,4R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]methyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboxylic acid (CID 164519030) is 4-[3-[[(2R,3R,4R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]methyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboxylic acid.

What is the SMILES notation for 4-[3-[[(2R,3R,4R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]methyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboxylic acid?

The canonical SMILES for 4-[3-[[(2R,3R,4R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]methyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboxylic acid is O=C(O)N1CCC(O)(c2cc(C[C@H]3O[C@H](CO)[C@H](O)[C@H](n4cc(-c5cc(F)c(F)c(F)c5)nn4)[C@H]3O)no2)CC1.

What is the InChIKey of 4-[3-[[(2R,3R,4R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]methyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboxylic acid?

The InChIKey is FLFZAOLQOGSYRM-SRBMLKMVSA-N. The full InChI is InChI=1S/C24H26F3N5O8/c25-13-5-11(6-14(26)19(13)27)15-9-32(30-28-15)20-21(34)16(39-17(10-33)22(20)35)7-12-8-18(40-29-12)24(38)1-3-31(4-2-24)23(36)37/h5-6,8-9,16-17,20-22,33-35,38H,1-4,7,10H2,(H,36,37)/t16-,17-,20-,21+,22+/m1/s1.

What are the key properties of 4-[3-[[(2R,3R,4R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]methyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboxylic acid?

4-[3-[[(2R,3R,4R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]methyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboxylic acid has a molecular weight of 569.49 g/mol, XLogP of 0.58, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[[(2R,3R,4R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxan-2-yl]methyl]-1,2-oxazol-5-yl]-4-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 164519030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).