(E,2S,3S,4S,5S)-N-methoxy-2,3,4,5-tetrakis(phenylmethoxy)hexan-1-imine

C35H39NO5 — CID 167395589

About (E,2S,3S,4S,5S)-N-methoxy-2,3,4,5-tetrakis(phenylmethoxy)hexan-1-imine

(E,2S,3S,4S,5S)-N-methoxy-2,3,4,5-tetrakis(phenylmethoxy)hexan-1-imine (PubChem CID 167395589) has the molecular formula C35H39NO5 and a molecular weight of 553.70 g/mol. Its IUPAC name is (E,2S,3S,4S,5S)-N-methoxy-2,3,4,5-tetrakis(phenylmethoxy)hexan-1-imine.

Molecular Properties

• Compound Name: (E,2S,3S,4S,5S)-N-methoxy-2,3,4,5-tetrakis(phenylmethoxy)hexan-1-imine
• PubChem CID: 167395589
• Molecular Formula: C35H39NO5
• Molecular Weight: 553.70 g/mol
• Exact Mass: 553.28
• IUPAC Name: (E,2S,3S,4S,5S)-N-methoxy-2,3,4,5-tetrakis(phenylmethoxy)hexan-1-imine
• SMILES: CO/N=C/[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](C)OCc1ccccc1
• InChI: InChI=1S/C35H39NO5/c1-28(38-24-29-15-7-3-8-16-29)34(40-26-31-19-11-5-12-20-31)35(41-27-32-21-13-6-14-22-32)33(23-36-37-2)39-25-30-17-9-4-10-18-30/h3-23,28,33-35H,24-27H2,1-2H3/b36-23+/t28-,33-,34-,35-/m0/s1
• InChIKey: WYWGPODHPYKNFR-VLJCSQBNSA-N
• XLogP: 6.98
• TPSA: 58.51 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.70
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E,2S,3S,4S,5S)-N-methoxy-2,3,4,5-tetrakis(phenylmethoxy)hexan-1-imine?

The IUPAC name of (E,2S,3S,4S,5S)-N-methoxy-2,3,4,5-tetrakis(phenylmethoxy)hexan-1-imine (CID 167395589) is (E,2S,3S,4S,5S)-N-methoxy-2,3,4,5-tetrakis(phenylmethoxy)hexan-1-imine.

What is the SMILES notation for (E,2S,3S,4S,5S)-N-methoxy-2,3,4,5-tetrakis(phenylmethoxy)hexan-1-imine?

The canonical SMILES for (E,2S,3S,4S,5S)-N-methoxy-2,3,4,5-tetrakis(phenylmethoxy)hexan-1-imine is CO/N=C/[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](C)OCc1ccccc1.

What is the InChIKey of (E,2S,3S,4S,5S)-N-methoxy-2,3,4,5-tetrakis(phenylmethoxy)hexan-1-imine?

The InChIKey is WYWGPODHPYKNFR-VLJCSQBNSA-N. The full InChI is InChI=1S/C35H39NO5/c1-28(38-24-29-15-7-3-8-16-29)34(40-26-31-19-11-5-12-20-31)35(41-27-32-21-13-6-14-22-32)33(23-36-37-2)39-25-30-17-9-4-10-18-30/h3-23,28,33-35H,24-27H2,1-2H3/b36-23+/t28-,33-,34-,35-/m0/s1.

What are the key properties of (E,2S,3S,4S,5S)-N-methoxy-2,3,4,5-tetrakis(phenylmethoxy)hexan-1-imine?

(E,2S,3S,4S,5S)-N-methoxy-2,3,4,5-tetrakis(phenylmethoxy)hexan-1-imine has a molecular weight of 553.70 g/mol, XLogP of 6.98, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (E,2S,3S,4S,5S)-N-methoxy-2,3,4,5-tetrakis(phenylmethoxy)hexan-1-imine is sourced from PubChem (CID 167395589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).