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

C34H37NO5 — CID 24899626

IUPAC(2R,3R,4R,5R)-1-hydroxy-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)pyrrolidine
SMILESON1[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1COCc1ccccc1
InChIInChI=1S/C34H37NO5/c36-35-31(25-37-21-27-13-5-1-6-14-27)33(39-23-29-17-9-3-10-18-29)34(40-24-30-19-11-4-12-20-30)32(35)26-38-22-28-15-7-2-8-16-28/h1-20,31-34,36H,21-26H2/t31-,32-,33-,34-/m1/s1
InChIKeyFKAGLCKDCCNCQY-YFRBGRBWSA-N
MW539.67 g/mol
LogP6.03
Rot. Bonds14

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

(2R,3R,4R,5R)-1-hydroxy-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)pyrrolidine (PubChem CID 24899626) has the molecular formula C34H37NO5 and a molecular weight of 539.67 g/mol. Its IUPAC name is (2R,3R,4R,5R)-1-hydroxy-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2R,3R,4R,5R)-1-hydroxy-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)pyrrolidine
PubChem CID24899626
Molecular FormulaC34H37NO5
Molecular Weight539.67 g/mol
Exact Mass539.27
IUPAC Name(2R,3R,4R,5R)-1-hydroxy-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)pyrrolidine
SMILESON1[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1COCc1ccccc1
InChIInChI=1S/C34H37NO5/c36-35-31(25-37-21-27-13-5-1-6-14-27)33(39-23-29-17-9-3-10-18-29)34(40-24-30-19-11-4-12-20-30)32(35)26-38-22-28-15-7-2-8-16-28/h1-20,31-34,36H,21-26H2/t31-,32-,33-,34-/m1/s1
InChIKeyFKAGLCKDCCNCQY-YFRBGRBWSA-N
XLogP6.03
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.67
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,4S,5S)-2-[2-(4-fluorophenyl)ethynyl]-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine
CID 101907720
(2R,3S,4S)-2-ethenyl-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine
CID 10592150
(1R,2R,3R,8R)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 11339728
(2R,3R,4R)-3,4-dibenzyloxy-2-benzyloxymethylpyrrolidine
CID 22842874
(2r,3r,4r,5r)-N-benzyloxylcarbonyl-3-hydroxyl-2,5-dibenzyloxymethyl-4-benzyloxy-pyrrolidine
CID 67157303
(3S,4S)-1,1-dibenzyl-3,4-bis(phenylmethoxy)pyrrolidin-1-ium
CID 135012133
3,4-Bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 18426109
(2R,3R,4R)-3,4-Dibenzyloxy-2-benzyloxymethyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 54509905
(2S,3S,4S)-2-ethenyl-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine
CID 10592149
(2R,3R,4R,5R)-1-benzyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-prop-2-enylpyrrolidine
CID 11082041
(3S,4S)-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine
CID 14952672
benzyl (2R,3R,4R,5Z)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4,7,8-tetrahydro-2H-azocine-1-carboxylate
CID 16084056

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-1-hydroxy-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)pyrrolidine?
The IUPAC name of (2R,3R,4R,5R)-1-hydroxy-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)pyrrolidine (CID 24899626) is (2R,3R,4R,5R)-1-hydroxy-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)pyrrolidine.
What is the SMILES notation for (2R,3R,4R,5R)-1-hydroxy-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)pyrrolidine?
The canonical SMILES for (2R,3R,4R,5R)-1-hydroxy-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)pyrrolidine is ON1[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1COCc1ccccc1.
What is the InChIKey of (2R,3R,4R,5R)-1-hydroxy-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)pyrrolidine?
The InChIKey is FKAGLCKDCCNCQY-YFRBGRBWSA-N. The full InChI is InChI=1S/C34H37NO5/c36-35-31(25-37-21-27-13-5-1-6-14-27)33(39-23-29-17-9-3-10-18-29)34(40-24-30-19-11-4-12-20-30)32(35)26-38-22-28-15-7-2-8-16-28/h1-20,31-34,36H,21-26H2/t31-,32-,33-,34-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-1-hydroxy-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)pyrrolidine?
(2R,3R,4R,5R)-1-hydroxy-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)pyrrolidine has a molecular weight of 539.67 g/mol, XLogP of 6.03, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-1-hydroxy-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)pyrrolidine is sourced from PubChem (CID 24899626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).