(2R,3S,4R)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]pyrrolidine-3,4-diol

C27H31NO4 — CID 134865977

IUPAC(2R,3S,4R)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]pyrrolidine-3,4-diol
SMILESO[C@H]1[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)N(Cc2ccccc2)C[C@H]1O
InChIInChI=1S/C27H31NO4/c29-24-17-28(16-21-10-4-1-5-11-21)26(27(24)30)25(32-19-23-14-8-3-9-15-23)20-31-18-22-12-6-2-7-13-22/h1-15,24-27,29-30H,16-20H2/t24-,25-,26+,27-/m1/s1
InChIKeyAIRKMAKVZSAINF-JVYGEBFASA-N
MW433.55 g/mol
LogP3.39
Rot. Bonds10

About (2R,3S,4R)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]pyrrolidine-3,4-diol

(2R,3S,4R)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]pyrrolidine-3,4-diol (PubChem CID 134865977) has the molecular formula C27H31NO4 and a molecular weight of 433.55 g/mol. Its IUPAC name is (2R,3S,4R)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]pyrrolidine-3,4-diol
PubChem CID134865977
Molecular FormulaC27H31NO4
Molecular Weight433.55 g/mol
Exact Mass433.23
IUPAC Name(2R,3S,4R)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]pyrrolidine-3,4-diol
SMILESO[C@H]1[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)N(Cc2ccccc2)C[C@H]1O
InChIInChI=1S/C27H31NO4/c29-24-17-28(16-21-10-4-1-5-11-21)26(27(24)30)25(32-19-23-14-8-3-9-15-23)20-31-18-22-12-6-2-7-13-22/h1-15,24-27,29-30H,16-20H2/t24-,25-,26+,27-/m1/s1
InChIKeyAIRKMAKVZSAINF-JVYGEBFASA-N
XLogP3.39
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4R)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]pyrrolidine-3,4-diol with MolForge

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Related Compounds

(1R)-1-[(2S,3R)-1-benzyl-3-hydroxyazetidin-2-yl]ethane-1,2-diol
CID 56649709
(5S)-5-[(2S,3S,4S)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidin-2-yl]-5-phenylmethoxy-1-trityloxypentan-2-ol
CID 25130803
(3S,4R,5R,6R)-1-benzyl-6-(hydroxymethyl)-5-phenylmethoxypiperidine-3,4-diol
CID 45101725
(5R)-5-[(2S,3S,4S)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidin-2-yl]-5-phenylmethoxypentane-1,2-diol
CID 25130121
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2R,3R,4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2-methoxy-4-phenylmethoxyoxolan-3-ol
CID 15613132
(2S,3R,4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,4-bis(phenylmethoxy)oxolan-3-ol
CID 102374527
(2R,3R,4R,5S)-1-benzyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 10131235
(3R,5R)-1-benzyl-3-[(1S)-1,2-bis(phenylmethoxy)ethyl]-4,4-difluoro-5-phenylmethoxypiperidine
CID 102480294
(2S)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3-dihydropyridin-4-one
CID 15310236
(3S,4S,5S,6R,7S)-1-benzyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)azepan-3-ol
CID 135009168
(2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine
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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]pyrrolidine-3,4-diol?
The IUPAC name of (2R,3S,4R)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]pyrrolidine-3,4-diol (CID 134865977) is (2R,3S,4R)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3S,4R)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]pyrrolidine-3,4-diol is O[C@H]1[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)N(Cc2ccccc2)C[C@H]1O.
What is the InChIKey of (2R,3S,4R)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]pyrrolidine-3,4-diol?
The InChIKey is AIRKMAKVZSAINF-JVYGEBFASA-N. The full InChI is InChI=1S/C27H31NO4/c29-24-17-28(16-21-10-4-1-5-11-21)26(27(24)30)25(32-19-23-14-8-3-9-15-23)20-31-18-22-12-6-2-7-13-22/h1-15,24-27,29-30H,16-20H2/t24-,25-,26+,27-/m1/s1.
What are the key properties of (2R,3S,4R)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]pyrrolidine-3,4-diol?
(2R,3S,4R)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]pyrrolidine-3,4-diol has a molecular weight of 433.55 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 134865977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).