N-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-dimethoxyphosphorylethyl)-4-(phenylmethoxymethoxy)-2-[(1S,2R)-1,2,3-tris(phenylmethoxymethoxy)propyl]oxan-3-yl]acetamide

C53H76NO14PSi — CID 11586136

IUPACN-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-dimethoxyphosphorylethyl)-4-(phenylmethoxymethoxy)-2-[(1S,2R)-1,2,3-tris(phenylmethoxymethoxy)propyl]oxan-3-yl]acetamide
SMILESCOP(=O)(CC[C@@]1(CO[Si](C)(C)C(C)(C)C)C[C@H](OCOCc2ccccc2)[C@@H](NC(C)=O)[C@H]([C@H](OCOCc2ccccc2)[C@@H](COCOCc2ccccc2)OCOCc2ccccc2)O1)OC
InChIInChI=1S/C53H76NO14PSi/c1-42(55)54-49-47(64-39-60-33-44-23-15-10-16-24-44)31-53(29-30-69(56,57-5)58-6,37-67-70(7,8)52(2,3)4)68-51(49)50(66-41-62-35-46-27-19-12-20-28-46)48(65-40-61-34-45-25-17-11-18-26-45)36-63-38-59-32-43-21-13-9-14-22-43/h9-28,47-51H,29-41H2,1-8H3,(H,54,55)/t47-,48+,49+,50+,51+,53-/m0/s1
InChIKeyYCNZTESJWXUSJF-AWTMQSNXSA-N
MW1010.24 g/mol
LogP9.79
Rot. Bonds32

About N-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-dimethoxyphosphorylethyl)-4-(phenylmethoxymethoxy)-2-[(1S,2R)-1,2,3-tris(phenylmethoxymethoxy)propyl]oxan-3-yl]acetamide

N-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-dimethoxyphosphorylethyl)-4-(phenylmethoxymethoxy)-2-[(1S,2R)-1,2,3-tris(phenylmethoxymethoxy)propyl]oxan-3-yl]acetamide (PubChem CID 11586136) has the molecular formula C53H76NO14PSi and a molecular weight of 1010.24 g/mol. Its IUPAC name is N-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-dimethoxyphosphorylethyl)-4-(phenylmethoxymethoxy)-2-[(1S,2R)-1,2,3-tris(phenylmethoxymethoxy)propyl]oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-dimethoxyphosphorylethyl)-4-(phenylmethoxymethoxy)-2-[(1S,2R)-1,2,3-tris(phenylmethoxymethoxy)propyl]oxan-3-yl]acetamide
PubChem CID11586136
Molecular FormulaC53H76NO14PSi
Molecular Weight1010.24 g/mol
Exact Mass1009.48
IUPAC NameN-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-dimethoxyphosphorylethyl)-4-(phenylmethoxymethoxy)-2-[(1S,2R)-1,2,3-tris(phenylmethoxymethoxy)propyl]oxan-3-yl]acetamide
SMILESCOP(=O)(CC[C@@]1(CO[Si](C)(C)C(C)(C)C)C[C@H](OCOCc2ccccc2)[C@@H](NC(C)=O)[C@H]([C@H](OCOCc2ccccc2)[C@@H](COCOCc2ccccc2)OCOCc2ccccc2)O1)OC
InChIInChI=1S/C53H76NO14PSi/c1-42(55)54-49-47(64-39-60-33-44-23-15-10-16-24-44)31-53(29-30-69(56,57-5)58-6,37-67-70(7,8)52(2,3)4)68-51(49)50(66-41-62-35-46-27-19-12-20-28-46)48(65-40-61-34-45-25-17-11-18-26-45)36-63-38-59-32-43-21-13-9-14-22-43/h9-28,47-51H,29-41H2,1-8H3,(H,54,55)/t47-,48+,49+,50+,51+,53-/m0/s1
InChIKeyYCNZTESJWXUSJF-AWTMQSNXSA-N
XLogP9.79
TPSA156.93 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds32
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001010.24
LogP ≤ 59.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-dimethoxyphosphorylethyl)-4-(phenylmethoxymethoxy)-2-[(1S,2R)-1,2,3-tris(phenylmethoxymethoxy)propyl]oxan-3-yl]acetamide 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 N-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-dimethoxyphosphorylethyl)-4-(phenylmethoxymethoxy)-2-[(1S,2R)-1,2,3-tris(phenylmethoxymethoxy)propyl]oxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-dimethoxyphosphorylethyl)-4-(phenylmethoxymethoxy)-2-[(1S,2R)-1,2,3-tris(phenylmethoxymethoxy)propyl]oxan-3-yl]acetamide (CID 11586136) is N-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-dimethoxyphosphorylethyl)-4-(phenylmethoxymethoxy)-2-[(1S,2R)-1,2,3-tris(phenylmethoxymethoxy)propyl]oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-dimethoxyphosphorylethyl)-4-(phenylmethoxymethoxy)-2-[(1S,2R)-1,2,3-tris(phenylmethoxymethoxy)propyl]oxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-dimethoxyphosphorylethyl)-4-(phenylmethoxymethoxy)-2-[(1S,2R)-1,2,3-tris(phenylmethoxymethoxy)propyl]oxan-3-yl]acetamide is COP(=O)(CC[C@@]1(CO[Si](C)(C)C(C)(C)C)C[C@H](OCOCc2ccccc2)[C@@H](NC(C)=O)[C@H]([C@H](OCOCc2ccccc2)[C@@H](COCOCc2ccccc2)OCOCc2ccccc2)O1)OC.
What is the InChIKey of N-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-dimethoxyphosphorylethyl)-4-(phenylmethoxymethoxy)-2-[(1S,2R)-1,2,3-tris(phenylmethoxymethoxy)propyl]oxan-3-yl]acetamide?
The InChIKey is YCNZTESJWXUSJF-AWTMQSNXSA-N. The full InChI is InChI=1S/C53H76NO14PSi/c1-42(55)54-49-47(64-39-60-33-44-23-15-10-16-24-44)31-53(29-30-69(56,57-5)58-6,37-67-70(7,8)52(2,3)4)68-51(49)50(66-41-62-35-46-27-19-12-20-28-46)48(65-40-61-34-45-25-17-11-18-26-45)36-63-38-59-32-43-21-13-9-14-22-43/h9-28,47-51H,29-41H2,1-8H3,(H,54,55)/t47-,48+,49+,50+,51+,53-/m0/s1.
What are the key properties of N-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-dimethoxyphosphorylethyl)-4-(phenylmethoxymethoxy)-2-[(1S,2R)-1,2,3-tris(phenylmethoxymethoxy)propyl]oxan-3-yl]acetamide?
N-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-dimethoxyphosphorylethyl)-4-(phenylmethoxymethoxy)-2-[(1S,2R)-1,2,3-tris(phenylmethoxymethoxy)propyl]oxan-3-yl]acetamide has a molecular weight of 1010.24 g/mol, XLogP of 9.79, 32 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-dimethoxyphosphorylethyl)-4-(phenylmethoxymethoxy)-2-[(1S,2R)-1,2,3-tris(phenylmethoxymethoxy)propyl]oxan-3-yl]acetamide is sourced from PubChem (CID 11586136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).