(2S,3R,4S,6S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;formaldehyde

C25H27FO5S — CID 144864989

IUPAC(2S,3R,4S,6S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;formaldehyde
SMILESC=O.Cc1ccc([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H25FO4S.CH2O/c1-14-2-3-16(24-23(28)21(27)12-19(13-26)29-24)10-17(14)11-20-8-9-22(30-20)15-4-6-18(25)7-5-15;1-2/h2-10,19,21,23-24,26-28H,11-13H2,1H3;1H2/t19-,21-,23+,24-;/m0./s1
InChIKeyBWDRGOKGTYJCMZ-NHTGUNLYSA-N
MW458.55 g/mol
LogP3.81
Rot. Bonds5

About (2S,3R,4S,6S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;formaldehyde

(2S,3R,4S,6S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;formaldehyde (PubChem CID 144864989) has the molecular formula C25H27FO5S and a molecular weight of 458.55 g/mol. Its IUPAC name is (2S,3R,4S,6S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;formaldehyde.

Molecular Properties

Compound Name(2S,3R,4S,6S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;formaldehyde
PubChem CID144864989
Molecular FormulaC25H27FO5S
Molecular Weight458.55 g/mol
Exact Mass458.16
IUPAC Name(2S,3R,4S,6S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;formaldehyde
SMILESC=O.Cc1ccc([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H25FO4S.CH2O/c1-14-2-3-16(24-23(28)21(27)12-19(13-26)29-24)10-17(14)11-20-8-9-22(30-20)15-4-6-18(25)7-5-15;1-2/h2-10,19,21,23-24,26-28H,11-13H2,1H3;1H2/t19-,21-,23+,24-;/m0./s1
InChIKeyBWDRGOKGTYJCMZ-NHTGUNLYSA-N
XLogP3.81
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S,3R,4S,6S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;formaldehyde 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,4S,6S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;formaldehyde?
The IUPAC name of (2S,3R,4S,6S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;formaldehyde (CID 144864989) is (2S,3R,4S,6S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;formaldehyde.
What is the SMILES notation for (2S,3R,4S,6S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;formaldehyde?
The canonical SMILES for (2S,3R,4S,6S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;formaldehyde is C=O.Cc1ccc([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of (2S,3R,4S,6S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;formaldehyde?
The InChIKey is BWDRGOKGTYJCMZ-NHTGUNLYSA-N. The full InChI is InChI=1S/C24H25FO4S.CH2O/c1-14-2-3-16(24-23(28)21(27)12-19(13-26)29-24)10-17(14)11-20-8-9-22(30-20)15-4-6-18(25)7-5-15;1-2/h2-10,19,21,23-24,26-28H,11-13H2,1H3;1H2/t19-,21-,23+,24-;/m0./s1.
What are the key properties of (2S,3R,4S,6S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;formaldehyde?
(2S,3R,4S,6S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;formaldehyde has a molecular weight of 458.55 g/mol, XLogP of 3.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,6S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;formaldehyde is sourced from PubChem (CID 144864989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).