(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4-trimethylnonadecanamide

C45H79NO4Si2 — CID 50915520

IUPAC(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4-trimethylnonadecanamide
SMILESCCCCCCCCCCCCCCC[C@@](C)(O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N(C)C
InChIInChI=1S/C45H79NO4Si2/c1-13-14-15-16-17-18-19-20-21-22-23-24-31-36-45(8,48)41(50-51(11,12)43(2,3)4)40(42(47)46(9)10)37-49-52(44(5,6)7,38-32-27-25-28-33-38)39-34-29-26-30-35-39/h25-30,32-35,40-41,48H,13-24,31,36-37H2,1-12H3/t40-,41-,45+/m0/s1
InChIKeyGUGVCICKANQFND-MUAFYUNISA-N
MW754.30 g/mol
LogP10.89
Rot. Bonds24

About (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4-trimethylnonadecanamide

(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4-trimethylnonadecanamide (PubChem CID 50915520) has the molecular formula C45H79NO4Si2 and a molecular weight of 754.30 g/mol. Its IUPAC name is (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4-trimethylnonadecanamide.

Molecular Properties

Compound Name(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4-trimethylnonadecanamide
PubChem CID50915520
Molecular FormulaC45H79NO4Si2
Molecular Weight754.30 g/mol
Exact Mass753.55
IUPAC Name(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4-trimethylnonadecanamide
SMILESCCCCCCCCCCCCCCC[C@@](C)(O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N(C)C
InChIInChI=1S/C45H79NO4Si2/c1-13-14-15-16-17-18-19-20-21-22-23-24-31-36-45(8,48)41(50-51(11,12)43(2,3)4)40(42(47)46(9)10)37-49-52(44(5,6)7,38-32-27-25-28-33-38)39-34-29-26-30-35-39/h25-30,32-35,40-41,48H,13-24,31,36-37H2,1-12H3/t40-,41-,45+/m0/s1
InChIKeyGUGVCICKANQFND-MUAFYUNISA-N
XLogP10.89
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.30
LogP ≤ 510.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4-trimethylnonadecanamide 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 (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4-trimethylnonadecanamide?
The IUPAC name of (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4-trimethylnonadecanamide (CID 50915520) is (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4-trimethylnonadecanamide.
What is the SMILES notation for (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4-trimethylnonadecanamide?
The canonical SMILES for (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4-trimethylnonadecanamide is CCCCCCCCCCCCCCC[C@@](C)(O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N(C)C.
What is the InChIKey of (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4-trimethylnonadecanamide?
The InChIKey is GUGVCICKANQFND-MUAFYUNISA-N. The full InChI is InChI=1S/C45H79NO4Si2/c1-13-14-15-16-17-18-19-20-21-22-23-24-31-36-45(8,48)41(50-51(11,12)43(2,3)4)40(42(47)46(9)10)37-49-52(44(5,6)7,38-32-27-25-28-33-38)39-34-29-26-30-35-39/h25-30,32-35,40-41,48H,13-24,31,36-37H2,1-12H3/t40-,41-,45+/m0/s1.
What are the key properties of (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4-trimethylnonadecanamide?
(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4-trimethylnonadecanamide has a molecular weight of 754.30 g/mol, XLogP of 10.89, 24 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-N,N,4-trimethylnonadecanamide is sourced from PubChem (CID 50915520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).