(2S,3R,4S,5R,6R)-2-(4-fluorophenyl)sulfanyl-3,4,5-trimethoxy-6-(methoxymethyl)oxane

C16H23FO5S — CID 163409523

IUPAC(2S,3R,4S,5R,6R)-2-(4-fluorophenyl)sulfanyl-3,4,5-trimethoxy-6-(methoxymethyl)oxane
SMILESCOC[C@H]1O[C@@H](Sc2ccc(F)cc2)[C@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C16H23FO5S/c1-18-9-12-13(19-2)14(20-3)15(21-4)16(22-12)23-11-7-5-10(17)6-8-11/h5-8,12-16H,9H2,1-4H3/t12-,13-,14+,15-,16+/m1/s1
InChIKeyUQVVTRLVVQTAIU-LJIZCISZSA-N
MW346.42 g/mol
LogP2.33
Rot. Bonds7

About (2S,3R,4S,5R,6R)-2-(4-fluorophenyl)sulfanyl-3,4,5-trimethoxy-6-(methoxymethyl)oxane

(2S,3R,4S,5R,6R)-2-(4-fluorophenyl)sulfanyl-3,4,5-trimethoxy-6-(methoxymethyl)oxane (PubChem CID 163409523) has the molecular formula C16H23FO5S and a molecular weight of 346.42 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-(4-fluorophenyl)sulfanyl-3,4,5-trimethoxy-6-(methoxymethyl)oxane.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-2-(4-fluorophenyl)sulfanyl-3,4,5-trimethoxy-6-(methoxymethyl)oxane
PubChem CID163409523
Molecular FormulaC16H23FO5S
Molecular Weight346.42 g/mol
Exact Mass346.13
IUPAC Name(2S,3R,4S,5R,6R)-2-(4-fluorophenyl)sulfanyl-3,4,5-trimethoxy-6-(methoxymethyl)oxane
SMILESCOC[C@H]1O[C@@H](Sc2ccc(F)cc2)[C@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C16H23FO5S/c1-18-9-12-13(19-2)14(20-3)15(21-4)16(22-12)23-11-7-5-10(17)6-8-11/h5-8,12-16H,9H2,1-4H3/t12-,13-,14+,15-,16+/m1/s1
InChIKeyUQVVTRLVVQTAIU-LJIZCISZSA-N
XLogP2.33
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S,3R,4S,5R,6R)-2-(4-fluorophenyl)sulfanyl-3,4,5-trimethoxy-6-(methoxymethyl)oxane 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

alpha-D-Glucopyranoside, phenyl 1-thio-, tetraacetate
CID 279081
phenyl thio-beta-D-galactopyranoside
CID 2802071
Npc265687
CID 6364823
beta-D-Glucopyranose, 1-deoxy-1-(phenylsulfonyl)-, tetraacetate
CID 2728906
alpha-D-Glucopyranoside, phenyl 1-thio-
CID 54171670
Phenyl beta-D-thiogalactopyranoside
CID 314404
[(2S,3S,4S,5S,6R)-4,5-diacetyloxy-2-(fluoromethyl)-6-phenylsulfanyloxan-3-yl] acetate
CID 101433829
Phenyl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-galactopyranoside
CID 10950254
[(2R,3R,4R,5S)-3,4-diacetyloxy-5-(4-fluorophenyl)sulfanyloxolan-2-yl]methyl acetate
CID 135034414
[(3R,6S)-4,5-diacetyloxy-6-(4-fluorophenyl)sulfanyloxan-3-yl] acetate
CID 135034425
(2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-(phenylthio)tetrahydro-2H-pyran-3,4,5-triyl triacetate
CID 2728905
[(3R,4S,5R,6S)-4,5-diacetyloxy-6-phenylsulfanyloxan-3-yl] acetate
CID 10451655

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2-(4-fluorophenyl)sulfanyl-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
The IUPAC name of (2S,3R,4S,5R,6R)-2-(4-fluorophenyl)sulfanyl-3,4,5-trimethoxy-6-(methoxymethyl)oxane (CID 163409523) is (2S,3R,4S,5R,6R)-2-(4-fluorophenyl)sulfanyl-3,4,5-trimethoxy-6-(methoxymethyl)oxane.
What is the SMILES notation for (2S,3R,4S,5R,6R)-2-(4-fluorophenyl)sulfanyl-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
The canonical SMILES for (2S,3R,4S,5R,6R)-2-(4-fluorophenyl)sulfanyl-3,4,5-trimethoxy-6-(methoxymethyl)oxane is COC[C@H]1O[C@@H](Sc2ccc(F)cc2)[C@H](OC)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of (2S,3R,4S,5R,6R)-2-(4-fluorophenyl)sulfanyl-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
The InChIKey is UQVVTRLVVQTAIU-LJIZCISZSA-N. The full InChI is InChI=1S/C16H23FO5S/c1-18-9-12-13(19-2)14(20-3)15(21-4)16(22-12)23-11-7-5-10(17)6-8-11/h5-8,12-16H,9H2,1-4H3/t12-,13-,14+,15-,16+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-2-(4-fluorophenyl)sulfanyl-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
(2S,3R,4S,5R,6R)-2-(4-fluorophenyl)sulfanyl-3,4,5-trimethoxy-6-(methoxymethyl)oxane has a molecular weight of 346.42 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-2-(4-fluorophenyl)sulfanyl-3,4,5-trimethoxy-6-(methoxymethyl)oxane is sourced from PubChem (CID 163409523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).