6-chloro-7-[(2S,3S,4R,5R)-4-fluoro-5-(phenylmethoxymethyl)-3-phenylselanyloxolan-2-yl]purine

C23H20ClFN4O2Se — CID 10792021

IUPAC6-chloro-7-[(2S,3S,4R,5R)-4-fluoro-5-(phenylmethoxymethyl)-3-phenylselanyloxolan-2-yl]purine
SMILESF[C@H]1[C@@H]([Se]c2ccccc2)[C@@H](n2cnc3ncnc(Cl)c32)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C23H20ClFN4O2Se/c24-21-19-22(27-13-26-21)28-14-29(19)23-20(32-16-9-5-2-6-10-16)18(25)17(31-23)12-30-11-15-7-3-1-4-8-15/h1-10,13-14,17-18,20,23H,11-12H2/t17-,18-,20-,23+/m1/s1
InChIKeyGEMOVCMHYSGMCW-MYJYVVNQSA-N
MW517.85 g/mol
LogP3.75
Rot. Bonds7

About 6-chloro-7-[(2S,3S,4R,5R)-4-fluoro-5-(phenylmethoxymethyl)-3-phenylselanyloxolan-2-yl]purine

6-chloro-7-[(2S,3S,4R,5R)-4-fluoro-5-(phenylmethoxymethyl)-3-phenylselanyloxolan-2-yl]purine (PubChem CID 10792021) has the molecular formula C23H20ClFN4O2Se and a molecular weight of 517.85 g/mol. Its IUPAC name is 6-chloro-7-[(2S,3S,4R,5R)-4-fluoro-5-(phenylmethoxymethyl)-3-phenylselanyloxolan-2-yl]purine.

Molecular Properties

Compound Name6-chloro-7-[(2S,3S,4R,5R)-4-fluoro-5-(phenylmethoxymethyl)-3-phenylselanyloxolan-2-yl]purine
PubChem CID10792021
Molecular FormulaC23H20ClFN4O2Se
Molecular Weight517.85 g/mol
Exact Mass518.04
IUPAC Name6-chloro-7-[(2S,3S,4R,5R)-4-fluoro-5-(phenylmethoxymethyl)-3-phenylselanyloxolan-2-yl]purine
SMILESF[C@H]1[C@@H]([Se]c2ccccc2)[C@@H](n2cnc3ncnc(Cl)c32)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C23H20ClFN4O2Se/c24-21-19-22(27-13-26-21)28-14-29(19)23-20(32-16-9-5-2-6-10-16)18(25)17(31-23)12-30-11-15-7-3-1-4-8-15/h1-10,13-14,17-18,20,23H,11-12H2/t17-,18-,20-,23+/m1/s1
InChIKeyGEMOVCMHYSGMCW-MYJYVVNQSA-N
XLogP3.75
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.85
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-chloro-7-[(2S,3S,4R,5R)-4-fluoro-5-(phenylmethoxymethyl)-3-phenylselanyloxolan-2-yl]purine 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

6-chloro-9-[(2R,3S,4R,5R)-4-fluoro-5-(phenylmethoxymethyl)-3-phenylselanyloxolan-2-yl]purine
CID 10697235
9-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(phenylmethoxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-chloropurine
CID 25260175
1-[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-phenylselanyloxan-2-yl]pyrimidine-2,4-dione
CID 10897737
(2S,5R)-2-fluoro-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 149274731
9-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]purin-6-amine
CID 11570129
9-[(3S,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-chloropurine
CID 154710604
2,5,6-trichloro-1-[(2R,3S,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]benzimidazole
CID 73345261
(2R,3R,4R,5S,6R)-2-fluoro-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 90920188
(2R,3R,4S,5R)-2-[6-(2-diazohydrazinyl)purin-9-yl]-5-(phenylmethoxymethyl)oxolane-3,4-diol
CID 57239848
(5E)-5-[2-(6-chloropurin-7-yl)ethylidene]-3,4-bis(phenylmethoxy)furan-2-one
CID 10552497
4-chloro-7-[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine
CID 144588953
9-[(2R,3R,4R,5R,6R)-3-nitro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]purine
CID 10579148

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[(2S,3S,4R,5R)-4-fluoro-5-(phenylmethoxymethyl)-3-phenylselanyloxolan-2-yl]purine?
The IUPAC name of 6-chloro-7-[(2S,3S,4R,5R)-4-fluoro-5-(phenylmethoxymethyl)-3-phenylselanyloxolan-2-yl]purine (CID 10792021) is 6-chloro-7-[(2S,3S,4R,5R)-4-fluoro-5-(phenylmethoxymethyl)-3-phenylselanyloxolan-2-yl]purine.
What is the SMILES notation for 6-chloro-7-[(2S,3S,4R,5R)-4-fluoro-5-(phenylmethoxymethyl)-3-phenylselanyloxolan-2-yl]purine?
The canonical SMILES for 6-chloro-7-[(2S,3S,4R,5R)-4-fluoro-5-(phenylmethoxymethyl)-3-phenylselanyloxolan-2-yl]purine is F[C@H]1[C@@H]([Se]c2ccccc2)[C@@H](n2cnc3ncnc(Cl)c32)O[C@@H]1COCc1ccccc1.
What is the InChIKey of 6-chloro-7-[(2S,3S,4R,5R)-4-fluoro-5-(phenylmethoxymethyl)-3-phenylselanyloxolan-2-yl]purine?
The InChIKey is GEMOVCMHYSGMCW-MYJYVVNQSA-N. The full InChI is InChI=1S/C23H20ClFN4O2Se/c24-21-19-22(27-13-26-21)28-14-29(19)23-20(32-16-9-5-2-6-10-16)18(25)17(31-23)12-30-11-15-7-3-1-4-8-15/h1-10,13-14,17-18,20,23H,11-12H2/t17-,18-,20-,23+/m1/s1.
What are the key properties of 6-chloro-7-[(2S,3S,4R,5R)-4-fluoro-5-(phenylmethoxymethyl)-3-phenylselanyloxolan-2-yl]purine?
6-chloro-7-[(2S,3S,4R,5R)-4-fluoro-5-(phenylmethoxymethyl)-3-phenylselanyloxolan-2-yl]purine has a molecular weight of 517.85 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[(2S,3S,4R,5R)-4-fluoro-5-(phenylmethoxymethyl)-3-phenylselanyloxolan-2-yl]purine is sourced from PubChem (CID 10792021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).