1-[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-phenylselanyloxan-2-yl]pyrimidine-2,4-dione

C37H36N2O6Se — CID 10897737

IUPAC1-[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-phenylselanyloxan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2[Se]c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C37H36N2O6Se/c40-32-21-22-39(37(41)38-32)36-35(46-30-19-11-4-12-20-30)34(44-25-29-17-9-3-10-18-29)33(43-24-28-15-7-2-8-16-28)31(45-36)26-42-23-27-13-5-1-6-14-27/h1-22,31,33-36H,23-26H2,(H,38,40,41)/t31-,33+,34+,35-,36-/m1/s1
InChIKeyYBJJWSDCNCGFLG-XWRKEFJQSA-N
MW683.66 g/mol
LogP4.64
Rot. Bonds13

About 1-[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-phenylselanyloxan-2-yl]pyrimidine-2,4-dione

1-[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-phenylselanyloxan-2-yl]pyrimidine-2,4-dione (PubChem CID 10897737) has the molecular formula C37H36N2O6Se and a molecular weight of 683.66 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-phenylselanyloxan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-phenylselanyloxan-2-yl]pyrimidine-2,4-dione
PubChem CID10897737
Molecular FormulaC37H36N2O6Se
Molecular Weight683.66 g/mol
Exact Mass684.17
IUPAC Name1-[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-phenylselanyloxan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2[Se]c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C37H36N2O6Se/c40-32-21-22-39(37(41)38-32)36-35(46-30-19-11-4-12-20-30)34(44-25-29-17-9-3-10-18-29)33(43-24-28-15-7-2-8-16-28)31(45-36)26-42-23-27-13-5-1-6-14-27/h1-22,31,33-36H,23-26H2,(H,38,40,41)/t31-,33+,34+,35-,36-/m1/s1
InChIKeyYBJJWSDCNCGFLG-XWRKEFJQSA-N
XLogP4.64
TPSA91.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500683.66
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-phenylselanyloxan-2-yl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 71500431
1-[(2R,3R,4S,5S)-5-(bromomethyl)-3-hydroxy-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 70169760
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R,4R,5R,6R)-3-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] hydrogen phosphate
CID 11332345
1-[(2R,3R,4R,5R)-5-(azidomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 10789669
1-[(2S,3S,4R,5R)-3-iodo-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
CID 101078035
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
1-[(2R,3S,4R,5R)-3-fluoro-3-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 67439872
1-[(1R,2R,3R,4R)-2-hydroxy-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]pyrimidine-2,4-dione
CID 10574236
(2S,5R)-2-fluoro-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 149274731
1-[(2R,5R)-5-(1,2-dihydroxyethyl)-3-hydroxy-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 178052101
[(1R,3R,4R,8S)-3-(2,4-dioxopyrimidin-1-yl)-8-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octan-4-yl]methyl acetate
CID 70169308
2-[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-phenylselanyl-2-(trityloxymethyl)oxolan-3-yl]acetonitrile
CID 101100703

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-phenylselanyloxan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-phenylselanyloxan-2-yl]pyrimidine-2,4-dione (CID 10897737) is 1-[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-phenylselanyloxan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-phenylselanyloxan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-phenylselanyloxan-2-yl]pyrimidine-2,4-dione is O=c1ccn([C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2[Se]c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 1-[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-phenylselanyloxan-2-yl]pyrimidine-2,4-dione?
The InChIKey is YBJJWSDCNCGFLG-XWRKEFJQSA-N. The full InChI is InChI=1S/C37H36N2O6Se/c40-32-21-22-39(37(41)38-32)36-35(46-30-19-11-4-12-20-30)34(44-25-29-17-9-3-10-18-29)33(43-24-28-15-7-2-8-16-28)31(45-36)26-42-23-27-13-5-1-6-14-27/h1-22,31,33-36H,23-26H2,(H,38,40,41)/t31-,33+,34+,35-,36-/m1/s1.
What are the key properties of 1-[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-phenylselanyloxan-2-yl]pyrimidine-2,4-dione?
1-[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-phenylselanyloxan-2-yl]pyrimidine-2,4-dione has a molecular weight of 683.66 g/mol, XLogP of 4.64, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-phenylselanyloxan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 10897737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).