(2R,3R,4R,5S)-1-hydroxy-2-phenyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine

C32H33NO4 — CID 135009235

IUPAC(2R,3R,4R,5S)-1-hydroxy-2-phenyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine
SMILESON1[C@H](c2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1COCc1ccccc1
InChIInChI=1S/C32H33NO4/c34-33-29(24-35-21-25-13-5-1-6-14-25)31(36-22-26-15-7-2-8-16-26)32(30(33)28-19-11-4-12-20-28)37-23-27-17-9-3-10-18-27/h1-20,29-32,34H,21-24H2/t29-,30+,31+,32+/m0/s1
InChIKeyMCYXNVSOTRAMLR-SYEZAVJTSA-N
MW495.62 g/mol
LogP6.19
Rot. Bonds11

About (2R,3R,4R,5S)-1-hydroxy-2-phenyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine

(2R,3R,4R,5S)-1-hydroxy-2-phenyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine (PubChem CID 135009235) has the molecular formula C32H33NO4 and a molecular weight of 495.62 g/mol. Its IUPAC name is (2R,3R,4R,5S)-1-hydroxy-2-phenyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2R,3R,4R,5S)-1-hydroxy-2-phenyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine
PubChem CID135009235
Molecular FormulaC32H33NO4
Molecular Weight495.62 g/mol
Exact Mass495.24
IUPAC Name(2R,3R,4R,5S)-1-hydroxy-2-phenyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine
SMILESON1[C@H](c2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1COCc1ccccc1
InChIInChI=1S/C32H33NO4/c34-33-29(24-35-21-25-13-5-1-6-14-25)31(36-22-26-15-7-2-8-16-26)32(30(33)28-19-11-4-12-20-28)37-23-27-17-9-3-10-18-27/h1-20,29-32,34H,21-24H2/t29-,30+,31+,32+/m0/s1
InChIKeyMCYXNVSOTRAMLR-SYEZAVJTSA-N
XLogP6.19
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.62
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride
CID 48180
Pyrrolidine, 1-benzyl-3-(diphenylmethoxy)-, perchlorate
CID 3025249
(2S,3S,4S,5S)-2-[2-(4-fluorophenyl)ethynyl]-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine
CID 101907720
(2R,3R,4S,5S,6R)-1-benzyl-5-fluoro-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enylpiperidine
CID 162401793
(2S,4R,5S)-3-benzyl-2,4,5-triphenyl-1,3-oxazolidine
CID 134925492
(2R)-1-[(1R)-1-phenylethyl]-2-[(1S,2S)-1,2,3-tris(phenylmethoxy)propyl]aziridine
CID 72707770
(3S,4S)-1,1-dibenzyl-3,4-bis(phenylmethoxy)pyrrolidin-1-ium
CID 135012133
(2R,3S,4R,5S)-1-benzyl-2-[diethoxyphosphoryl(difluoro)methyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine
CID 10604569
(2S,3R,4R,5S)-1-benzyl-2-[diethoxyphosphoryl(difluoro)methyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine
CID 10604570
(2S,3R,4R,5R)-1-benzyl-2-[diethoxyphosphoryl(difluoro)methyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine
CID 10604571
(2R,3R,4R,5R)-1-benzyl-2-[diethoxyphosphoryl(difluoro)methyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine
CID 10652141
(2R,3R,4R,5S)-1-benzyl-2-[diethoxyphosphoryl(difluoro)methyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine
CID 10676032

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-1-hydroxy-2-phenyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine?
The IUPAC name of (2R,3R,4R,5S)-1-hydroxy-2-phenyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine (CID 135009235) is (2R,3R,4R,5S)-1-hydroxy-2-phenyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine.
What is the SMILES notation for (2R,3R,4R,5S)-1-hydroxy-2-phenyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine?
The canonical SMILES for (2R,3R,4R,5S)-1-hydroxy-2-phenyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine is ON1[C@H](c2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1COCc1ccccc1.
What is the InChIKey of (2R,3R,4R,5S)-1-hydroxy-2-phenyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine?
The InChIKey is MCYXNVSOTRAMLR-SYEZAVJTSA-N. The full InChI is InChI=1S/C32H33NO4/c34-33-29(24-35-21-25-13-5-1-6-14-25)31(36-22-26-15-7-2-8-16-26)32(30(33)28-19-11-4-12-20-28)37-23-27-17-9-3-10-18-27/h1-20,29-32,34H,21-24H2/t29-,30+,31+,32+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-1-hydroxy-2-phenyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine?
(2R,3R,4R,5S)-1-hydroxy-2-phenyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine has a molecular weight of 495.62 g/mol, XLogP of 6.19, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-1-hydroxy-2-phenyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine is sourced from PubChem (CID 135009235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).