N'-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-2-pyridinyl]-N,N-dimethylmethanimidamide

C40H51N3O6Si — CID 44519228

About N'-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-2-pyridinyl]-N,N-dimethylmethanimidamide

N'-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-2-pyridinyl]-N,N-dimethylmethanimidamide (PubChem CID 44519228) has the molecular formula C40H51N3O6Si and a molecular weight of 697.95 g/mol. Its IUPAC name is N'-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-2-pyridinyl]-N,N-dimethylmethanimidamide.

Molecular Properties

• Compound Name: N'-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-2-pyridinyl]-N,N-dimethylmethanimidamide
• PubChem CID: 44519228
• Molecular Formula: C40H51N3O6Si
• Molecular Weight: 697.95 g/mol
• Exact Mass: 697.35
• IUPAC Name: N'-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-2-pyridinyl]-N,N-dimethylmethanimidamide
• SMILES: COc1ccc(C(OC[C@H]2O[C@@H](c3ccc(/N=C/N(C)C)nc3)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C40H51N3O6Si/c1-39(2,3)50(8,9)49-38-36(44)34(48-37(38)28-15-24-35(41-25-28)42-27-43(4)5)26-47-40(29-13-11-10-12-14-29,30-16-20-32(45-6)21-17-30)31-18-22-33(46-7)23-19-31/h10-25,27,34,36-38,44H,26H2,1-9H3/b42-27+/t34-,36-,37+,38-/m1/s1
• InChIKey: KZNXDXHKKQNYNM-ACBDFAECSA-N
• XLogP: 7.52
• TPSA: 94.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.95
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-2-pyridinyl]-N,N-dimethylmethanimidamide?

The IUPAC name of N'-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-2-pyridinyl]-N,N-dimethylmethanimidamide (CID 44519228) is N'-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-2-pyridinyl]-N,N-dimethylmethanimidamide.

What is the SMILES notation for N'-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-2-pyridinyl]-N,N-dimethylmethanimidamide?

The canonical SMILES for N'-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-2-pyridinyl]-N,N-dimethylmethanimidamide is COc1ccc(C(OC[C@H]2O[C@@H](c3ccc(/N=C/N(C)C)nc3)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.

What is the InChIKey of N'-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-2-pyridinyl]-N,N-dimethylmethanimidamide?

The InChIKey is KZNXDXHKKQNYNM-ACBDFAECSA-N. The full InChI is InChI=1S/C40H51N3O6Si/c1-39(2,3)50(8,9)49-38-36(44)34(48-37(38)28-15-24-35(41-25-28)42-27-43(4)5)26-47-40(29-13-11-10-12-14-29,30-16-20-32(45-6)21-17-30)31-18-22-33(46-7)23-19-31/h10-25,27,34,36-38,44H,26H2,1-9H3/b42-27+/t34-,36-,37+,38-/m1/s1.

What are the key properties of N'-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-2-pyridinyl]-N,N-dimethylmethanimidamide?

N'-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-2-pyridinyl]-N,N-dimethylmethanimidamide has a molecular weight of 697.95 g/mol, XLogP of 7.52, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[5-[(2S,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-2-pyridinyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 44519228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).