methyl (2R)-2-[(4S,5R)-5-[(1S)-1-acetamido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetate

C35H45NO7Si — CID 134973333

IUPACmethyl (2R)-2-[(4S,5R)-5-[(1S)-1-acetamido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetate
SMILESCOC(=O)[C@H](OCc1ccccc1)[C@H]1OC(C)(C)O[C@@H]1[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(C)=O
InChIInChI=1S/C35H45NO7Si/c1-25(37)36-29(24-41-44(34(2,3)4,27-19-13-9-14-20-27)28-21-15-10-16-22-28)30-31(43-35(5,6)42-30)32(33(38)39-7)40-23-26-17-11-8-12-18-26/h8-22,29-32H,23-24H2,1-7H3,(H,36,37)/t29-,30+,31-,32+/m0/s1
InChIKeyQLTRTYIAVXTSQV-MLMSKLGMSA-N
MW619.83 g/mol
LogP4.35
Rot. Bonds12

About methyl (2R)-2-[(4S,5R)-5-[(1S)-1-acetamido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetate

methyl (2R)-2-[(4S,5R)-5-[(1S)-1-acetamido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetate (PubChem CID 134973333) has the molecular formula C35H45NO7Si and a molecular weight of 619.83 g/mol. Its IUPAC name is methyl (2R)-2-[(4S,5R)-5-[(1S)-1-acetamido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(4S,5R)-5-[(1S)-1-acetamido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetate
PubChem CID134973333
Molecular FormulaC35H45NO7Si
Molecular Weight619.83 g/mol
Exact Mass619.30
IUPAC Namemethyl (2R)-2-[(4S,5R)-5-[(1S)-1-acetamido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetate
SMILESCOC(=O)[C@H](OCc1ccccc1)[C@H]1OC(C)(C)O[C@@H]1[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(C)=O
InChIInChI=1S/C35H45NO7Si/c1-25(37)36-29(24-41-44(34(2,3)4,27-19-13-9-14-20-27)28-21-15-10-16-22-28)30-31(43-35(5,6)42-30)32(33(38)39-7)40-23-26-17-11-8-12-18-26/h8-22,29-32H,23-24H2,1-7H3,(H,36,37)/t29-,30+,31-,32+/m0/s1
InChIKeyQLTRTYIAVXTSQV-MLMSKLGMSA-N
XLogP4.35
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.83
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl (2R)-2-[(4S,5R)-5-[(1S)-1-acetamido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetate 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 methyl (2R)-2-[(4S,5R)-5-[(1S)-1-acetamido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetate?
The IUPAC name of methyl (2R)-2-[(4S,5R)-5-[(1S)-1-acetamido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetate (CID 134973333) is methyl (2R)-2-[(4S,5R)-5-[(1S)-1-acetamido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetate.
What is the SMILES notation for methyl (2R)-2-[(4S,5R)-5-[(1S)-1-acetamido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetate?
The canonical SMILES for methyl (2R)-2-[(4S,5R)-5-[(1S)-1-acetamido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetate is COC(=O)[C@H](OCc1ccccc1)[C@H]1OC(C)(C)O[C@@H]1[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(C)=O.
What is the InChIKey of methyl (2R)-2-[(4S,5R)-5-[(1S)-1-acetamido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetate?
The InChIKey is QLTRTYIAVXTSQV-MLMSKLGMSA-N. The full InChI is InChI=1S/C35H45NO7Si/c1-25(37)36-29(24-41-44(34(2,3)4,27-19-13-9-14-20-27)28-21-15-10-16-22-28)30-31(43-35(5,6)42-30)32(33(38)39-7)40-23-26-17-11-8-12-18-26/h8-22,29-32H,23-24H2,1-7H3,(H,36,37)/t29-,30+,31-,32+/m0/s1.
What are the key properties of methyl (2R)-2-[(4S,5R)-5-[(1S)-1-acetamido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetate?
methyl (2R)-2-[(4S,5R)-5-[(1S)-1-acetamido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetate has a molecular weight of 619.83 g/mol, XLogP of 4.35, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(4S,5R)-5-[(1S)-1-acetamido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetate is sourced from PubChem (CID 134973333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).