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

C37H42NO8P — CID 118433503

IUPACN-[(E,2R,3S,4R)-6-dimethoxyphosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide
SMILESCOP(=O)(/C=C/[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](CN(C=O)OCc1ccccc1)OCc1ccccc1)OC
InChIInChI=1S/C37H42NO8P/c1-41-47(40,42-2)24-23-35(43-26-31-15-7-3-8-16-31)37(45-28-33-19-11-5-12-20-33)36(44-27-32-17-9-4-10-18-32)25-38(30-39)46-29-34-21-13-6-14-22-34/h3-24,30,35-37H,25-29H2,1-2H3/b24-23+/t35-,36-,37+/m1/s1
InChIKeyPKBPKAIDPIHEOQ-UACLATIDSA-N
MW659.72 g/mol
LogP7.33
Rot. Bonds21

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

N-[(E,2R,3S,4R)-6-dimethoxyphosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide (PubChem CID 118433503) has the molecular formula C37H42NO8P and a molecular weight of 659.72 g/mol. Its IUPAC name is N-[(E,2R,3S,4R)-6-dimethoxyphosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide.

Molecular Properties

Compound NameN-[(E,2R,3S,4R)-6-dimethoxyphosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide
PubChem CID118433503
Molecular FormulaC37H42NO8P
Molecular Weight659.72 g/mol
Exact Mass659.26
IUPAC NameN-[(E,2R,3S,4R)-6-dimethoxyphosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide
SMILESCOP(=O)(/C=C/[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](CN(C=O)OCc1ccccc1)OCc1ccccc1)OC
InChIInChI=1S/C37H42NO8P/c1-41-47(40,42-2)24-23-35(43-26-31-15-7-3-8-16-31)37(45-28-33-19-11-5-12-20-33)36(44-27-32-17-9-4-10-18-32)25-38(30-39)46-29-34-21-13-6-14-22-34/h3-24,30,35-37H,25-29H2,1-2H3/b24-23+/t35-,36-,37+/m1/s1
InChIKeyPKBPKAIDPIHEOQ-UACLATIDSA-N
XLogP7.33
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.72
LogP ≤ 57.33
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,2R,3S,4R)-6-dimethoxyphosphoryl-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,2S,3R,4R)-6-bis(phenylmethoxy)phosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide
CID 134524547
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
N-pentyl-N-phenylmethoxyformamide
CID 88956477
2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid
CID 22256535
(2S,3S,4R,5E)-2,3,4-tris(phenylmethoxy)octa-5,7-dienal
CID 101049962
2-[[formyl(phenylmethoxy)amino]methyl]-4-methylpentanoic acid
CID 19367512
[(3R,4R,5S)-6-[formyl(phenylmethoxy)amino]-3,4,5-trihydroxyhexyl]-methoxy-oxophosphanium
CID 90138759
(2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal
CID 54316923
[4-[formyl(phenylmethoxy)amino]-2-methyl-1-phosphonobutyl]phosphonic acid
CID 90923448
(2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal
CID 100963665

Frequently Asked Questions

What is the IUPAC name of N-[(E,2R,3S,4R)-6-dimethoxyphosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide?
The IUPAC name of N-[(E,2R,3S,4R)-6-dimethoxyphosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide (CID 118433503) is N-[(E,2R,3S,4R)-6-dimethoxyphosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide.
What is the SMILES notation for N-[(E,2R,3S,4R)-6-dimethoxyphosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide?
The canonical SMILES for N-[(E,2R,3S,4R)-6-dimethoxyphosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide is COP(=O)(/C=C/[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](CN(C=O)OCc1ccccc1)OCc1ccccc1)OC.
What is the InChIKey of N-[(E,2R,3S,4R)-6-dimethoxyphosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide?
The InChIKey is PKBPKAIDPIHEOQ-UACLATIDSA-N. The full InChI is InChI=1S/C37H42NO8P/c1-41-47(40,42-2)24-23-35(43-26-31-15-7-3-8-16-31)37(45-28-33-19-11-5-12-20-33)36(44-27-32-17-9-4-10-18-32)25-38(30-39)46-29-34-21-13-6-14-22-34/h3-24,30,35-37H,25-29H2,1-2H3/b24-23+/t35-,36-,37+/m1/s1.
What are the key properties of N-[(E,2R,3S,4R)-6-dimethoxyphosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide?
N-[(E,2R,3S,4R)-6-dimethoxyphosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide has a molecular weight of 659.72 g/mol, XLogP of 7.33, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2R,3S,4R)-6-dimethoxyphosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide is sourced from PubChem (CID 118433503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).