[2-[diethoxy(ethyl)-lambda5-phosphanylidene]-2-[(3S,4S)-2-oxo-4-[(2R)-1-oxo-1-[(3R)-5-oxo-1-triethylsilylpyrrolidin-3-yl]sulfanylpropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetyl]oxymethyl 2,2-dimethylpropanoate

C35H65N2O10PSSi2 — CID 10509518

IUPAC[2-[diethoxy(ethyl)-lambda5-phosphanylidene]-2-[(3S,4S)-2-oxo-4-[(2R)-1-oxo-1-[(3R)-5-oxo-1-triethylsilylpyrrolidin-3-yl]sulfanylpropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetyl]oxymethyl 2,2-dimethylpropanoate
SMILESCCOP(CC)(OCC)=C(C(=O)OCOC(=O)C(C)(C)C)N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C)[C@H]1[C@@H](C)C(=O)S[C@@H]1CC(=O)N([Si](CC)(CC)CC)C1
InChIInChI=1S/C35H65N2O10PSSi2/c1-15-45-48(17-3,46-16-2)31(32(40)43-23-44-34(42)35(9,10)11)37-29(28(30(37)39)25(8)47-50(12,13)14)24(7)33(41)49-26-21-27(38)36(22-26)51(18-4,19-5)20-6/h24-26,28-29H,15-23H2,1-14H3/t24-,25-,26-,28-,29-/m1/s1
InChIKeyAPABIOIUJUWMCK-IJAHQDPLSA-N
MW793.12 g/mol
LogP6.72
Rot. Bonds19

About [2-[diethoxy(ethyl)-lambda5-phosphanylidene]-2-[(3S,4S)-2-oxo-4-[(2R)-1-oxo-1-[(3R)-5-oxo-1-triethylsilylpyrrolidin-3-yl]sulfanylpropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetyl]oxymethyl 2,2-dimethylpropanoate

[2-[diethoxy(ethyl)-lambda5-phosphanylidene]-2-[(3S,4S)-2-oxo-4-[(2R)-1-oxo-1-[(3R)-5-oxo-1-triethylsilylpyrrolidin-3-yl]sulfanylpropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetyl]oxymethyl 2,2-dimethylpropanoate (PubChem CID 10509518) has the molecular formula C35H65N2O10PSSi2 and a molecular weight of 793.12 g/mol. Its IUPAC name is [2-[diethoxy(ethyl)-lambda5-phosphanylidene]-2-[(3S,4S)-2-oxo-4-[(2R)-1-oxo-1-[(3R)-5-oxo-1-triethylsilylpyrrolidin-3-yl]sulfanylpropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetyl]oxymethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-[diethoxy(ethyl)-lambda5-phosphanylidene]-2-[(3S,4S)-2-oxo-4-[(2R)-1-oxo-1-[(3R)-5-oxo-1-triethylsilylpyrrolidin-3-yl]sulfanylpropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetyl]oxymethyl 2,2-dimethylpropanoate
PubChem CID10509518
Molecular FormulaC35H65N2O10PSSi2
Molecular Weight793.12 g/mol
Exact Mass792.36
IUPAC Name[2-[diethoxy(ethyl)-lambda5-phosphanylidene]-2-[(3S,4S)-2-oxo-4-[(2R)-1-oxo-1-[(3R)-5-oxo-1-triethylsilylpyrrolidin-3-yl]sulfanylpropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetyl]oxymethyl 2,2-dimethylpropanoate
SMILESCCOP(CC)(OCC)=C(C(=O)OCOC(=O)C(C)(C)C)N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C)[C@H]1[C@@H](C)C(=O)S[C@@H]1CC(=O)N([Si](CC)(CC)CC)C1
InChIInChI=1S/C35H65N2O10PSSi2/c1-15-45-48(17-3,46-16-2)31(32(40)43-23-44-34(42)35(9,10)11)37-29(28(30(37)39)25(8)47-50(12,13)14)24(7)33(41)49-26-21-27(38)36(22-26)51(18-4,19-5)20-6/h24-26,28-29H,15-23H2,1-14H3/t24-,25-,26-,28-,29-/m1/s1
InChIKeyAPABIOIUJUWMCK-IJAHQDPLSA-N
XLogP6.72
TPSA137.98 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500793.12
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze [2-[diethoxy(ethyl)-lambda5-phosphanylidene]-2-[(3S,4S)-2-oxo-4-[(2R)-1-oxo-1-[(3R)-5-oxo-1-triethylsilylpyrrolidin-3-yl]sulfanylpropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetyl]oxymethyl 2,2-dimethylpropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[diethoxy(ethyl)-lambda5-phosphanylidene]-2-[(3S,4S)-2-oxo-4-[(2R)-1-oxo-1-[(3R)-5-oxo-1-triethylsilylpyrrolidin-3-yl]sulfanylpropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetyl]oxymethyl 2,2-dimethylpropanoate?
The IUPAC name of [2-[diethoxy(ethyl)-lambda5-phosphanylidene]-2-[(3S,4S)-2-oxo-4-[(2R)-1-oxo-1-[(3R)-5-oxo-1-triethylsilylpyrrolidin-3-yl]sulfanylpropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetyl]oxymethyl 2,2-dimethylpropanoate (CID 10509518) is [2-[diethoxy(ethyl)-lambda5-phosphanylidene]-2-[(3S,4S)-2-oxo-4-[(2R)-1-oxo-1-[(3R)-5-oxo-1-triethylsilylpyrrolidin-3-yl]sulfanylpropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetyl]oxymethyl 2,2-dimethylpropanoate.
What is the SMILES notation for [2-[diethoxy(ethyl)-lambda5-phosphanylidene]-2-[(3S,4S)-2-oxo-4-[(2R)-1-oxo-1-[(3R)-5-oxo-1-triethylsilylpyrrolidin-3-yl]sulfanylpropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetyl]oxymethyl 2,2-dimethylpropanoate?
The canonical SMILES for [2-[diethoxy(ethyl)-lambda5-phosphanylidene]-2-[(3S,4S)-2-oxo-4-[(2R)-1-oxo-1-[(3R)-5-oxo-1-triethylsilylpyrrolidin-3-yl]sulfanylpropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetyl]oxymethyl 2,2-dimethylpropanoate is CCOP(CC)(OCC)=C(C(=O)OCOC(=O)C(C)(C)C)N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C)[C@H]1[C@@H](C)C(=O)S[C@@H]1CC(=O)N([Si](CC)(CC)CC)C1.
What is the InChIKey of [2-[diethoxy(ethyl)-lambda5-phosphanylidene]-2-[(3S,4S)-2-oxo-4-[(2R)-1-oxo-1-[(3R)-5-oxo-1-triethylsilylpyrrolidin-3-yl]sulfanylpropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetyl]oxymethyl 2,2-dimethylpropanoate?
The InChIKey is APABIOIUJUWMCK-IJAHQDPLSA-N. The full InChI is InChI=1S/C35H65N2O10PSSi2/c1-15-45-48(17-3,46-16-2)31(32(40)43-23-44-34(42)35(9,10)11)37-29(28(30(37)39)25(8)47-50(12,13)14)24(7)33(41)49-26-21-27(38)36(22-26)51(18-4,19-5)20-6/h24-26,28-29H,15-23H2,1-14H3/t24-,25-,26-,28-,29-/m1/s1.
What are the key properties of [2-[diethoxy(ethyl)-lambda5-phosphanylidene]-2-[(3S,4S)-2-oxo-4-[(2R)-1-oxo-1-[(3R)-5-oxo-1-triethylsilylpyrrolidin-3-yl]sulfanylpropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetyl]oxymethyl 2,2-dimethylpropanoate?
[2-[diethoxy(ethyl)-lambda5-phosphanylidene]-2-[(3S,4S)-2-oxo-4-[(2R)-1-oxo-1-[(3R)-5-oxo-1-triethylsilylpyrrolidin-3-yl]sulfanylpropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetyl]oxymethyl 2,2-dimethylpropanoate has a molecular weight of 793.12 g/mol, XLogP of 6.72, 19 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[diethoxy(ethyl)-lambda5-phosphanylidene]-2-[(3S,4S)-2-oxo-4-[(2R)-1-oxo-1-[(3R)-5-oxo-1-triethylsilylpyrrolidin-3-yl]sulfanylpropan-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetyl]oxymethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 10509518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).