ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate

C38H52O6Si — CID 11342644

IUPACethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate
SMILESCCOC(=O)C[C@H](O)C[C@H]1CCC[C@@H](C[C@H](CCOCc2ccccc2)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C38H52O6Si/c1-5-42-37(40)27-31(39)26-32-18-15-19-33(43-32)28-34(24-25-41-29-30-16-9-6-10-17-30)44-45(38(2,3)4,35-20-11-7-12-21-35)36-22-13-8-14-23-36/h6-14,16-17,20-23,31-34,39H,5,15,18-19,24-29H2,1-4H3/t31-,32-,33+,34+/m1/s1
InChIKeyVXJIYWSFRAROEZ-WZJLIZBTSA-N
MW632.91 g/mol
LogP6.57
Rot. Bonds16

About ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate

ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate (PubChem CID 11342644) has the molecular formula C38H52O6Si and a molecular weight of 632.91 g/mol. Its IUPAC name is ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate
PubChem CID11342644
Molecular FormulaC38H52O6Si
Molecular Weight632.91 g/mol
Exact Mass632.35
IUPAC Nameethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate
SMILESCCOC(=O)C[C@H](O)C[C@H]1CCC[C@@H](C[C@H](CCOCc2ccccc2)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C38H52O6Si/c1-5-42-37(40)27-31(39)26-32-18-15-19-33(43-32)28-34(24-25-41-29-30-16-9-6-10-17-30)44-45(38(2,3)4,35-20-11-7-12-21-35)36-22-13-8-14-23-36/h6-14,16-17,20-23,31-34,39H,5,15,18-19,24-29H2,1-4H3/t31-,32-,33+,34+/m1/s1
InChIKeyVXJIYWSFRAROEZ-WZJLIZBTSA-N
XLogP6.57
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.91
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate 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 ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate?
The IUPAC name of ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate (CID 11342644) is ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate.
What is the SMILES notation for ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate?
The canonical SMILES for ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate is CCOC(=O)C[C@H](O)C[C@H]1CCC[C@@H](C[C@H](CCOCc2ccccc2)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate?
The InChIKey is VXJIYWSFRAROEZ-WZJLIZBTSA-N. The full InChI is InChI=1S/C38H52O6Si/c1-5-42-37(40)27-31(39)26-32-18-15-19-33(43-32)28-34(24-25-41-29-30-16-9-6-10-17-30)44-45(38(2,3)4,35-20-11-7-12-21-35)36-22-13-8-14-23-36/h6-14,16-17,20-23,31-34,39H,5,15,18-19,24-29H2,1-4H3/t31-,32-,33+,34+/m1/s1.
What are the key properties of ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate?
ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate has a molecular weight of 632.91 g/mol, XLogP of 6.57, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate is sourced from PubChem (CID 11342644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).