N-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-5-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2,2,2-trifluoroacetamide

C34H34F3N3O8 — CID 151747911

About N-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-5-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2,2,2-trifluoroacetamide

N-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-5-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 151747911) has the molecular formula C34H34F3N3O8 and a molecular weight of 669.65 g/mol. Its IUPAC name is N-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-5-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-5-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2,2,2-trifluoroacetamide
• PubChem CID: 151747911
• Molecular Formula: C34H34F3N3O8
• Molecular Weight: 669.65 g/mol
• Exact Mass: 669.23
• IUPAC Name: N-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-5-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2,2,2-trifluoroacetamide
• SMILES: COc1ccc(C(OC[C@@]2(NC(=O)C(F)(F)F)O[C@@](C)(n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C34H34F3N3O8/c1-21-19-40(30(44)38-28(21)42)31(2)18-27(41)32(48-31,39-29(43)34(35,36)37)20-47-33(22-8-6-5-7-9-22,23-10-14-25(45-3)15-11-23)24-12-16-26(46-4)17-13-24/h5-17,19,27,41H,18,20H2,1-4H3,(H,39,43)(H,38,42,44)/t27-,31+,32+/m0/s1
• InChIKey: RNXCOTIOYPSISE-QUBLIXHFSA-N
• XLogP: 3.70
• TPSA: 141.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	669.65
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-5-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2,2,2-trifluoroacetamide?

The IUPAC name of N-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-5-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2,2,2-trifluoroacetamide (CID 151747911) is N-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-5-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2,2,2-trifluoroacetamide.

What is the SMILES notation for N-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-5-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2,2,2-trifluoroacetamide?

The canonical SMILES for N-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-5-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2,2,2-trifluoroacetamide is COc1ccc(C(OC[C@@]2(NC(=O)C(F)(F)F)O[C@@](C)(n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.

What is the InChIKey of N-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-5-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2,2,2-trifluoroacetamide?

The InChIKey is RNXCOTIOYPSISE-QUBLIXHFSA-N. The full InChI is InChI=1S/C34H34F3N3O8/c1-21-19-40(30(44)38-28(21)42)31(2)18-27(41)32(48-31,39-29(43)34(35,36)37)20-47-33(22-8-6-5-7-9-22,23-10-14-25(45-3)15-11-23)24-12-16-26(46-4)17-13-24/h5-17,19,27,41H,18,20H2,1-4H3,(H,39,43)(H,38,42,44)/t27-,31+,32+/m0/s1.

What are the key properties of N-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-5-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2,2,2-trifluoroacetamide?

N-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-5-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 669.65 g/mol, XLogP of 3.70, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-5-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 151747911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).