benzyl (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine-1-carboxylate

C54H51NO6 — CID 126961882

IUPACbenzyl (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C54H51NO6/c56-53(60-40-45-28-14-4-15-29-45)55-36-50(57-37-42-22-8-1-9-23-42)52(59-39-44-26-12-3-13-27-44)51(58-38-43-24-10-2-11-25-43)49(55)41-61-54(46-30-16-5-17-31-46,47-32-18-6-19-33-47)48-34-20-7-21-35-48/h1-35,49-52H,36-41H2/t49-,50+,51-,52-/m1/s1
InChIKeyRXBXUERLDVTTEM-HRHVFIINSA-N
MW810.00 g/mol
LogP10.77
Rot. Bonds17

About benzyl (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine-1-carboxylate

benzyl (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine-1-carboxylate (PubChem CID 126961882) has the molecular formula C54H51NO6 and a molecular weight of 810.00 g/mol. Its IUPAC name is benzyl (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine-1-carboxylate
PubChem CID126961882
Molecular FormulaC54H51NO6
Molecular Weight810.00 g/mol
Exact Mass809.37
IUPAC Namebenzyl (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C54H51NO6/c56-53(60-40-45-28-14-4-15-29-45)55-36-50(57-37-42-22-8-1-9-23-42)52(59-39-44-26-12-3-13-27-44)51(58-38-43-24-10-2-11-25-43)49(55)41-61-54(46-30-16-5-17-31-46,47-32-18-6-19-33-47)48-34-20-7-21-35-48/h1-35,49-52H,36-41H2/t49-,50+,51-,52-/m1/s1
InChIKeyRXBXUERLDVTTEM-HRHVFIINSA-N
XLogP10.77
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.00
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Deoxynojirimycin Tetrabenzyl Ether
CID 11027759
2,3,4,6-Tetra-O-benzyl-1-deoxynojirimycin Hydrochloric Acid Salt
CID 57369853
(2R,3R,4R,5S)-3,4,5-Tris(phenylmethoxy)-2-[(phenylmethoxy)methyl]piperidine Hydrochloride
CID 71752407
3,4,5-Tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine;hydrochloride
CID 76522009
(2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine;hydrochloride
CID 131632833
(3R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine;hydrochloride
CID 131700684
1-Deoxy-1-(butyl((phenylmethoxy)carbonyl)amino)-2,3,4,6-tetrakis-O-(phenylmethyl)-D-galactitol
CID 165340806
6-Deoxy-6-(butyl((phenylmethoxy)carbonyl)amino)-1,3,4,5-tetrakis-O-(phenylmethyl)-L-tagatose
CID 165341056
Piperidine, 3,4,5-tris(phenylmethoxy)-2-((phenylmethoxy)methyl)-
CID 14444606
(6S,7R,8S)-5-benzyl-7,8-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxa-5-azabicyclo[2.2.2]octane
CID 391868
(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 58757325
tert-butyl N-[(2S,3R)-3-fluoro-1-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]heptadec-4-en-2-yl]carbamate
CID 66930717

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine-1-carboxylate?
The IUPAC name of benzyl (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine-1-carboxylate (CID 126961882) is benzyl (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine-1-carboxylate?
The InChIKey is RXBXUERLDVTTEM-HRHVFIINSA-N. The full InChI is InChI=1S/C54H51NO6/c56-53(60-40-45-28-14-4-15-29-45)55-36-50(57-37-42-22-8-1-9-23-42)52(59-39-44-26-12-3-13-27-44)51(58-38-43-24-10-2-11-25-43)49(55)41-61-54(46-30-16-5-17-31-46,47-32-18-6-19-33-47)48-34-20-7-21-35-48/h1-35,49-52H,36-41H2/t49-,50+,51-,52-/m1/s1.
What are the key properties of benzyl (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine-1-carboxylate?
benzyl (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine-1-carboxylate has a molecular weight of 810.00 g/mol, XLogP of 10.77, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 126961882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).