N-[(E,2S,3R,4R)-6-bis(phenylmethoxy)phosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide

C49H50NO8P — CID 134524547

IUPACN-[(E,2S,3R,4R)-6-bis(phenylmethoxy)phosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide
SMILESO=CN(C[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](/C=C/P(=O)(OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C49H50NO8P/c51-40-50(56-37-44-25-13-4-14-26-44)33-48(54-35-42-21-9-2-10-22-42)49(55-36-43-23-11-3-12-24-43)47(53-34-41-19-7-1-8-20-41)31-32-59(52,57-38-45-27-15-5-16-28-45)58-39-46-29-17-6-18-30-46/h1-32,40,47-49H,33-39H2/b32-31+/t47-,48+,49-/m1/s1
InChIKeyYVXNHLSCZWJVOT-HXHAPULLSA-N
MW811.91 g/mol
LogP10.47
Rot. Bonds25

About N-[(E,2S,3R,4R)-6-bis(phenylmethoxy)phosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide

N-[(E,2S,3R,4R)-6-bis(phenylmethoxy)phosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide (PubChem CID 134524547) has the molecular formula C49H50NO8P and a molecular weight of 811.91 g/mol. Its IUPAC name is N-[(E,2S,3R,4R)-6-bis(phenylmethoxy)phosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide.

Molecular Properties

Compound NameN-[(E,2S,3R,4R)-6-bis(phenylmethoxy)phosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide
PubChem CID134524547
Molecular FormulaC49H50NO8P
Molecular Weight811.91 g/mol
Exact Mass811.33
IUPAC NameN-[(E,2S,3R,4R)-6-bis(phenylmethoxy)phosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide
SMILESO=CN(C[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](/C=C/P(=O)(OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C49H50NO8P/c51-40-50(56-37-44-25-13-4-14-26-44)33-48(54-35-42-21-9-2-10-22-42)49(55-36-43-23-11-3-12-24-43)47(53-34-41-19-7-1-8-20-41)31-32-59(52,57-38-45-27-15-5-16-28-45)58-39-46-29-17-6-18-30-46/h1-32,40,47-49H,33-39H2/b32-31+/t47-,48+,49-/m1/s1
InChIKeyYVXNHLSCZWJVOT-HXHAPULLSA-N
XLogP10.47
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds25
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.91
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[(E,2S,3R,4R)-6-bis(phenylmethoxy)phosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E,2R,3S,4R)-6-dimethoxyphosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide
CID 118433503
N-[(2R,3S,4S)-5-oxo-2,3,4-tris(phenylmethoxy)pentyl]-N-phenylmethoxyformamide
CID 118433511
N-[(2S,3S,4R)-5-hydroxy-6-[methyl(phenylmethoxy)phosphoryl]-2,3,4-tris(phenylmethoxy)hexyl]-N-phenylmethoxyformamide
CID 118442114
N-[(E,4S,5R,6R)-8-dimethylphosphoryl-4,5,6-tris(phenylmethoxy)oct-7-en-3-yl]-N-phenylmethoxyformamide
CID 118442063
[phenylmethoxy(prop-1-enyl)phosphoryl]oxymethylbenzene
CID 72790570
dibenzyl [(2R,3S)-4-oxo-2,3-bis(phenylmethoxy)butyl] phosphate
CID 10792974
(2S,3S,4R,5E)-2,3,4-tris(phenylmethoxy)octa-5,7-dienal
CID 101049962
N-pentyl-N-phenylmethoxyformamide
CID 88956477
(2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal
CID 54316923
2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid
CID 22256535
(2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal
CID 100963665
2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 14131714

Frequently Asked Questions

What is the IUPAC name of N-[(E,2S,3R,4R)-6-bis(phenylmethoxy)phosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide?
The IUPAC name of N-[(E,2S,3R,4R)-6-bis(phenylmethoxy)phosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide (CID 134524547) is N-[(E,2S,3R,4R)-6-bis(phenylmethoxy)phosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide.
What is the SMILES notation for N-[(E,2S,3R,4R)-6-bis(phenylmethoxy)phosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide?
The canonical SMILES for N-[(E,2S,3R,4R)-6-bis(phenylmethoxy)phosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide is O=CN(C[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](/C=C/P(=O)(OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of N-[(E,2S,3R,4R)-6-bis(phenylmethoxy)phosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide?
The InChIKey is YVXNHLSCZWJVOT-HXHAPULLSA-N. The full InChI is InChI=1S/C49H50NO8P/c51-40-50(56-37-44-25-13-4-14-26-44)33-48(54-35-42-21-9-2-10-22-42)49(55-36-43-23-11-3-12-24-43)47(53-34-41-19-7-1-8-20-41)31-32-59(52,57-38-45-27-15-5-16-28-45)58-39-46-29-17-6-18-30-46/h1-32,40,47-49H,33-39H2/b32-31+/t47-,48+,49-/m1/s1.
What are the key properties of N-[(E,2S,3R,4R)-6-bis(phenylmethoxy)phosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide?
N-[(E,2S,3R,4R)-6-bis(phenylmethoxy)phosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide has a molecular weight of 811.91 g/mol, XLogP of 10.47, 25 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S,3R,4R)-6-bis(phenylmethoxy)phosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide is sourced from PubChem (CID 134524547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).