(1R,2S,3S,4R,5S)-2-(benzylamino)-3,4,5-tris(phenylmethoxy)-1-(phenylmethoxymethyl)cyclopentan-1-ol

C41H43NO5 — CID 11262140

IUPAC(1R,2S,3S,4R,5S)-2-(benzylamino)-3,4,5-tris(phenylmethoxy)-1-(phenylmethoxymethyl)cyclopentan-1-ol
SMILESO[C@@]1(COCc2ccccc2)[C@@H](NCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C41H43NO5/c43-41(31-44-27-33-18-8-2-9-19-33)39(42-26-32-16-6-1-7-17-32)37(45-28-34-20-10-3-11-21-34)38(46-29-35-22-12-4-13-23-35)40(41)47-30-36-24-14-5-15-25-36/h1-25,37-40,42-43H,26-31H2/t37-,38-,39+,40+,41+/m1/s1
InChIKeyQOHCWMHUFDDLEO-HJRBIJKLSA-N
MW629.80 g/mol
LogP6.86
Rot. Bonds16

About (1R,2S,3S,4R,5S)-2-(benzylamino)-3,4,5-tris(phenylmethoxy)-1-(phenylmethoxymethyl)cyclopentan-1-ol

(1R,2S,3S,4R,5S)-2-(benzylamino)-3,4,5-tris(phenylmethoxy)-1-(phenylmethoxymethyl)cyclopentan-1-ol (PubChem CID 11262140) has the molecular formula C41H43NO5 and a molecular weight of 629.80 g/mol. Its IUPAC name is (1R,2S,3S,4R,5S)-2-(benzylamino)-3,4,5-tris(phenylmethoxy)-1-(phenylmethoxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2S,3S,4R,5S)-2-(benzylamino)-3,4,5-tris(phenylmethoxy)-1-(phenylmethoxymethyl)cyclopentan-1-ol
PubChem CID11262140
Molecular FormulaC41H43NO5
Molecular Weight629.80 g/mol
Exact Mass629.31
IUPAC Name(1R,2S,3S,4R,5S)-2-(benzylamino)-3,4,5-tris(phenylmethoxy)-1-(phenylmethoxymethyl)cyclopentan-1-ol
SMILESO[C@@]1(COCc2ccccc2)[C@@H](NCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C41H43NO5/c43-41(31-44-27-33-18-8-2-9-19-33)39(42-26-32-16-6-1-7-17-32)37(45-28-34-20-10-3-11-21-34)38(46-29-35-22-12-4-13-23-35)40(41)47-30-36-24-14-5-15-25-36/h1-25,37-40,42-43H,26-31H2/t37-,38-,39+,40+,41+/m1/s1
InChIKeyQOHCWMHUFDDLEO-HJRBIJKLSA-N
XLogP6.86
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.80
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,4R,5S)-2-(benzylamino)-3,4,5-tris(phenylmethoxy)-1-(phenylmethoxymethyl)cyclopentan-1-ol?
The IUPAC name of (1R,2S,3S,4R,5S)-2-(benzylamino)-3,4,5-tris(phenylmethoxy)-1-(phenylmethoxymethyl)cyclopentan-1-ol (CID 11262140) is (1R,2S,3S,4R,5S)-2-(benzylamino)-3,4,5-tris(phenylmethoxy)-1-(phenylmethoxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (1R,2S,3S,4R,5S)-2-(benzylamino)-3,4,5-tris(phenylmethoxy)-1-(phenylmethoxymethyl)cyclopentan-1-ol?
The canonical SMILES for (1R,2S,3S,4R,5S)-2-(benzylamino)-3,4,5-tris(phenylmethoxy)-1-(phenylmethoxymethyl)cyclopentan-1-ol is O[C@@]1(COCc2ccccc2)[C@@H](NCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (1R,2S,3S,4R,5S)-2-(benzylamino)-3,4,5-tris(phenylmethoxy)-1-(phenylmethoxymethyl)cyclopentan-1-ol?
The InChIKey is QOHCWMHUFDDLEO-HJRBIJKLSA-N. The full InChI is InChI=1S/C41H43NO5/c43-41(31-44-27-33-18-8-2-9-19-33)39(42-26-32-16-6-1-7-17-32)37(45-28-34-20-10-3-11-21-34)38(46-29-35-22-12-4-13-23-35)40(41)47-30-36-24-14-5-15-25-36/h1-25,37-40,42-43H,26-31H2/t37-,38-,39+,40+,41+/m1/s1.
What are the key properties of (1R,2S,3S,4R,5S)-2-(benzylamino)-3,4,5-tris(phenylmethoxy)-1-(phenylmethoxymethyl)cyclopentan-1-ol?
(1R,2S,3S,4R,5S)-2-(benzylamino)-3,4,5-tris(phenylmethoxy)-1-(phenylmethoxymethyl)cyclopentan-1-ol has a molecular weight of 629.80 g/mol, XLogP of 6.86, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,4R,5S)-2-(benzylamino)-3,4,5-tris(phenylmethoxy)-1-(phenylmethoxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 11262140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).