(2R,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxolane-3,4-diol

C24H25FO5S — CID 169439403

IUPAC(2R,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxolane-3,4-diol
SMILESCc1ccc(C2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H25FO5S/c1-13-2-3-15(23-21(28)22(29)24(30-23)19(27)12-26)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22-,23?,24-/m1/s1
InChIKeyZLPSHXQANWMHSC-JCQDQNGYSA-N
MW444.52 g/mol
LogP2.97
Rot. Bonds6

About (2R,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxolane-3,4-diol

(2R,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxolane-3,4-diol (PubChem CID 169439403) has the molecular formula C24H25FO5S and a molecular weight of 444.52 g/mol. Its IUPAC name is (2R,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxolane-3,4-diol
PubChem CID169439403
Molecular FormulaC24H25FO5S
Molecular Weight444.52 g/mol
Exact Mass444.14
IUPAC Name(2R,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxolane-3,4-diol
SMILESCc1ccc(C2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H25FO5S/c1-13-2-3-15(23-21(28)22(29)24(30-23)19(27)12-26)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22-,23?,24-/m1/s1
InChIKeyZLPSHXQANWMHSC-JCQDQNGYSA-N
XLogP2.97
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxolane-3,4-diol with MolForge

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Related Compounds

(2S,3R,5R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 169435610
(2S,3S,4S,5R,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 124604763
(2S,3R,5S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70971378
(2S,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 66576978
1-[(2R,3S,4R,5R,6R)-6-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-3,4,5-trihydroxyoxan-2-yl]ethanesulfonate
CID 163202587
2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;hydrate
CID 77158882
(2S,3R,4S,6S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;formaldehyde
CID 144864989
2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-methyloxan-3-ol
CID 118458003
[(2S,3S,4R,5R,6S)-6-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
CID 154630281
(2R,3S,4R,6R)-4-ethyl-6-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-2-(hydroxymethyl)oxan-3-ol
CID 144753931
2-(hydroxymethyl)-6-[3-[[5-(4-iodophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxane-3,4,5-triol
CID 130316119
(2R,3S,4S,5R)-2-ethyl-6-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-3,4,5-trimethyloxane
CID 58224010

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxolane-3,4-diol?
The IUPAC name of (2R,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxolane-3,4-diol (CID 169439403) is (2R,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxolane-3,4-diol is Cc1ccc(C2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of (2R,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxolane-3,4-diol?
The InChIKey is ZLPSHXQANWMHSC-JCQDQNGYSA-N. The full InChI is InChI=1S/C24H25FO5S/c1-13-2-3-15(23-21(28)22(29)24(30-23)19(27)12-26)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22-,23?,24-/m1/s1.
What are the key properties of (2R,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxolane-3,4-diol?
(2R,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxolane-3,4-diol has a molecular weight of 444.52 g/mol, XLogP of 2.97, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-5-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]oxolane-3,4-diol is sourced from PubChem (CID 169439403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).