(2S,3R,4R,5S,6S)-2-[4-chloro-3-(3-methoxycyclopentyl)oxyphenyl]-6-(fluoromethyl)oxane-3,4,5-triol

C18H24ClFO6 — CID 11668264

IUPAC(2S,3R,4R,5S,6S)-2-[4-chloro-3-(3-methoxycyclopentyl)oxyphenyl]-6-(fluoromethyl)oxane-3,4,5-triol
SMILESCOC1CCC(Oc2cc([C@@H]3O[C@H](CF)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)C1
InChIInChI=1S/C18H24ClFO6/c1-24-10-3-4-11(7-10)25-13-6-9(2-5-12(13)19)18-17(23)16(22)15(21)14(8-20)26-18/h2,5-6,10-11,14-18,21-23H,3-4,7-8H2,1H3/t10?,11?,14-,15-,16+,17-,18+/m1/s1
InChIKeyNWGQELVRWFVYQE-SNIKWMIRSA-N
MW390.84 g/mol
LogP1.78
Rot. Bonds5

About (2S,3R,4R,5S,6S)-2-[4-chloro-3-(3-methoxycyclopentyl)oxyphenyl]-6-(fluoromethyl)oxane-3,4,5-triol

(2S,3R,4R,5S,6S)-2-[4-chloro-3-(3-methoxycyclopentyl)oxyphenyl]-6-(fluoromethyl)oxane-3,4,5-triol (PubChem CID 11668264) has the molecular formula C18H24ClFO6 and a molecular weight of 390.84 g/mol. Its IUPAC name is (2S,3R,4R,5S,6S)-2-[4-chloro-3-(3-methoxycyclopentyl)oxyphenyl]-6-(fluoromethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6S)-2-[4-chloro-3-(3-methoxycyclopentyl)oxyphenyl]-6-(fluoromethyl)oxane-3,4,5-triol
PubChem CID11668264
Molecular FormulaC18H24ClFO6
Molecular Weight390.84 g/mol
Exact Mass390.12
IUPAC Name(2S,3R,4R,5S,6S)-2-[4-chloro-3-(3-methoxycyclopentyl)oxyphenyl]-6-(fluoromethyl)oxane-3,4,5-triol
SMILESCOC1CCC(Oc2cc([C@@H]3O[C@H](CF)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)C1
InChIInChI=1S/C18H24ClFO6/c1-24-10-3-4-11(7-10)25-13-6-9(2-5-12(13)19)18-17(23)16(22)15(21)14(8-20)26-18/h2,5-6,10-11,14-18,21-23H,3-4,7-8H2,1H3/t10?,11?,14-,15-,16+,17-,18+/m1/s1
InChIKeyNWGQELVRWFVYQE-SNIKWMIRSA-N
XLogP1.78
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.84
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S,3R,4R,5S,6S)-2-[4-chloro-3-(3-methoxycyclopentyl)oxyphenyl]-6-(fluoromethyl)oxane-3,4,5-triol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6S)-2-[4-chloro-3-(3-methoxycyclopentyl)oxyphenyl]-6-(fluoromethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5S,6S)-2-[4-chloro-3-(3-methoxycyclopentyl)oxyphenyl]-6-(fluoromethyl)oxane-3,4,5-triol (CID 11668264) is (2S,3R,4R,5S,6S)-2-[4-chloro-3-(3-methoxycyclopentyl)oxyphenyl]-6-(fluoromethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5S,6S)-2-[4-chloro-3-(3-methoxycyclopentyl)oxyphenyl]-6-(fluoromethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5S,6S)-2-[4-chloro-3-(3-methoxycyclopentyl)oxyphenyl]-6-(fluoromethyl)oxane-3,4,5-triol is COC1CCC(Oc2cc([C@@H]3O[C@H](CF)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)C1.
What is the InChIKey of (2S,3R,4R,5S,6S)-2-[4-chloro-3-(3-methoxycyclopentyl)oxyphenyl]-6-(fluoromethyl)oxane-3,4,5-triol?
The InChIKey is NWGQELVRWFVYQE-SNIKWMIRSA-N. The full InChI is InChI=1S/C18H24ClFO6/c1-24-10-3-4-11(7-10)25-13-6-9(2-5-12(13)19)18-17(23)16(22)15(21)14(8-20)26-18/h2,5-6,10-11,14-18,21-23H,3-4,7-8H2,1H3/t10?,11?,14-,15-,16+,17-,18+/m1/s1.
What are the key properties of (2S,3R,4R,5S,6S)-2-[4-chloro-3-(3-methoxycyclopentyl)oxyphenyl]-6-(fluoromethyl)oxane-3,4,5-triol?
(2S,3R,4R,5S,6S)-2-[4-chloro-3-(3-methoxycyclopentyl)oxyphenyl]-6-(fluoromethyl)oxane-3,4,5-triol has a molecular weight of 390.84 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6S)-2-[4-chloro-3-(3-methoxycyclopentyl)oxyphenyl]-6-(fluoromethyl)oxane-3,4,5-triol is sourced from PubChem (CID 11668264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).