benzyl (2R,3R,4S,5S)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate

C34H41NO8Si — CID 54249941

IUPACbenzyl (2R,3R,4S,5S)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate
SMILESCC(=O)O[C@H]1[C@H](O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OCc2ccccc2)C[C@@H]1OC(C)=O
InChIInChI=1S/C34H41NO8Si/c1-24(36)42-30-21-35(33(39)40-22-26-15-9-6-10-16-26)29(31(38)32(30)43-25(2)37)23-41-44(34(3,4)5,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-20,29-32,38H,21-23H2,1-5H3/t29-,30+,31-,32-/m1/s1
InChIKeyQWARWEMSBDZMED-VWPRMMSESA-N
MW619.79 g/mol
LogP3.81
Rot. Bonds9

About benzyl (2R,3R,4S,5S)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate

benzyl (2R,3R,4S,5S)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate (PubChem CID 54249941) has the molecular formula C34H41NO8Si and a molecular weight of 619.79 g/mol. Its IUPAC name is benzyl (2R,3R,4S,5S)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,3R,4S,5S)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate
PubChem CID54249941
Molecular FormulaC34H41NO8Si
Molecular Weight619.79 g/mol
Exact Mass619.26
IUPAC Namebenzyl (2R,3R,4S,5S)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate
SMILESCC(=O)O[C@H]1[C@H](O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OCc2ccccc2)C[C@@H]1OC(C)=O
InChIInChI=1S/C34H41NO8Si/c1-24(36)42-30-21-35(33(39)40-22-26-15-9-6-10-16-26)29(31(38)32(30)43-25(2)37)23-41-44(34(3,4)5,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-20,29-32,38H,21-23H2,1-5H3/t29-,30+,31-,32-/m1/s1
InChIKeyQWARWEMSBDZMED-VWPRMMSESA-N
XLogP3.81
TPSA111.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.79
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze benzyl (2R,3R,4S,5S)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate 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 benzyl (2R,3R,4S,5S)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of benzyl (2R,3R,4S,5S)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate (CID 54249941) is benzyl (2R,3R,4S,5S)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,3R,4S,5S)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for benzyl (2R,3R,4S,5S)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate is CC(=O)O[C@H]1[C@H](O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OCc2ccccc2)C[C@@H]1OC(C)=O.
What is the InChIKey of benzyl (2R,3R,4S,5S)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate?
The InChIKey is QWARWEMSBDZMED-VWPRMMSESA-N. The full InChI is InChI=1S/C34H41NO8Si/c1-24(36)42-30-21-35(33(39)40-22-26-15-9-6-10-16-26)29(31(38)32(30)43-25(2)37)23-41-44(34(3,4)5,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-20,29-32,38H,21-23H2,1-5H3/t29-,30+,31-,32-/m1/s1.
What are the key properties of benzyl (2R,3R,4S,5S)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate?
benzyl (2R,3R,4S,5S)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate has a molecular weight of 619.79 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3R,4S,5S)-4,5-diacetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 54249941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).