(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(4-methoxyphenyl)methyl]-5-methylthiophen-2-yl]oxane-3,4,5-triol

C19H24O6S — CID 56680495

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(4-methoxyphenyl)methyl]-5-methylthiophen-2-yl]oxane-3,4,5-triol
SMILESCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)sc2C)cc1
InChIInChI=1S/C19H24O6S/c1-10-12(7-11-3-5-13(24-2)6-4-11)8-15(26-10)19-18(23)17(22)16(21)14(9-20)25-19/h3-6,8,14,16-23H,7,9H2,1-2H3/t14-,16-,17+,18-,19+/m1/s1
InChIKeyPORNCOGKKTUOIB-FTWQHDNSSA-N
MW380.46 g/mol
LogP1.17
Rot. Bonds5

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(4-methoxyphenyl)methyl]-5-methylthiophen-2-yl]oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(4-methoxyphenyl)methyl]-5-methylthiophen-2-yl]oxane-3,4,5-triol (PubChem CID 56680495) has the molecular formula C19H24O6S and a molecular weight of 380.46 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(4-methoxyphenyl)methyl]-5-methylthiophen-2-yl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(4-methoxyphenyl)methyl]-5-methylthiophen-2-yl]oxane-3,4,5-triol
PubChem CID56680495
Molecular FormulaC19H24O6S
Molecular Weight380.46 g/mol
Exact Mass380.13
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(4-methoxyphenyl)methyl]-5-methylthiophen-2-yl]oxane-3,4,5-triol
SMILESCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)sc2C)cc1
InChIInChI=1S/C19H24O6S/c1-10-12(7-11-3-5-13(24-2)6-4-11)8-15(26-10)19-18(23)17(22)16(21)14(9-20)25-19/h3-6,8,14,16-23H,7,9H2,1-2H3/t14-,16-,17+,18-,19+/m1/s1
InChIKeyPORNCOGKKTUOIB-FTWQHDNSSA-N
XLogP1.17
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(4-methoxyphenyl)methyl]-5-methylthiophen-2-yl]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

Related Compounds

2,5-Bis(4-methoxyphenyl)thiophene
CID 3552928
Atigliflozin
CID 10068465
4-(5-(4-Methoxyphenyl)thiophen-2-yl)phenol
CID 44408738
(2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-methoxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10070513
(2S,3R,4R,5S,6R)-2-[5-(1-benzothiophen-2-ylmethyl)-2-methoxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10341852
(1S)-1,5-Anhydro-1-[3-(4-ethoxybenzyl)phenyl]-1-thio-D-glucitol
CID 46204509
(2R,3R,4S,5S,6R)-2-[4-[(4-ethoxyphenyl)methyl]-5-methylthiophen-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 54597683
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-methyl-5-[(4-methylphenyl)methyl]thiophen-2-yl]oxane-3,4,5-triol
CID 56659854
(2R,3R,4S,5S,6R)-2-[5-chloro-4-[[4-(oxolan-3-yloxy)phenyl]methyl]thiophen-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 56663408
(2R,3R,4S,5S,6R)-2-[5-chloro-4-[(4-ethoxyphenyl)methyl]thiophen-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 56663480
(2R,3R,4S,5S,6R)-2-[5-chloro-4-[(4-prop-2-enoxyphenyl)methyl]thiophen-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 56663481
(2R,3R,4S,5S,6R)-2-(5-(4-ethylbenzyl)-3-methoxy-4-methylthiophen-2-yl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 56666748

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(4-methoxyphenyl)methyl]-5-methylthiophen-2-yl]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(4-methoxyphenyl)methyl]-5-methylthiophen-2-yl]oxane-3,4,5-triol (CID 56680495) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(4-methoxyphenyl)methyl]-5-methylthiophen-2-yl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(4-methoxyphenyl)methyl]-5-methylthiophen-2-yl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(4-methoxyphenyl)methyl]-5-methylthiophen-2-yl]oxane-3,4,5-triol is COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)sc2C)cc1.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(4-methoxyphenyl)methyl]-5-methylthiophen-2-yl]oxane-3,4,5-triol?
The InChIKey is PORNCOGKKTUOIB-FTWQHDNSSA-N. The full InChI is InChI=1S/C19H24O6S/c1-10-12(7-11-3-5-13(24-2)6-4-11)8-15(26-10)19-18(23)17(22)16(21)14(9-20)25-19/h3-6,8,14,16-23H,7,9H2,1-2H3/t14-,16-,17+,18-,19+/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(4-methoxyphenyl)methyl]-5-methylthiophen-2-yl]oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(4-methoxyphenyl)methyl]-5-methylthiophen-2-yl]oxane-3,4,5-triol has a molecular weight of 380.46 g/mol, XLogP of 1.17, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(4-methoxyphenyl)methyl]-5-methylthiophen-2-yl]oxane-3,4,5-triol is sourced from PubChem (CID 56680495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).