(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(1,3-thiazol-2-ylmethylsulfanyl)oxane-3,4,5-triol

C10H15NO5S2 — CID 146487272

IUPAC(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(1,3-thiazol-2-ylmethylsulfanyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](SCc2nccs2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H15NO5S2/c12-3-5-7(13)8(14)9(15)10(16-5)18-4-6-11-1-2-17-6/h1-2,5,7-10,12-15H,3-4H2/t5-,7+,8+,9-,10-/m1/s1
InChIKeyMFFONMMXFYTDMX-MFQRKTBASA-N
MW293.37 g/mol
LogP-0.82
Rot. Bonds4

About (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(1,3-thiazol-2-ylmethylsulfanyl)oxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(1,3-thiazol-2-ylmethylsulfanyl)oxane-3,4,5-triol (PubChem CID 146487272) has the molecular formula C10H15NO5S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(1,3-thiazol-2-ylmethylsulfanyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(1,3-thiazol-2-ylmethylsulfanyl)oxane-3,4,5-triol
PubChem CID146487272
Molecular FormulaC10H15NO5S2
Molecular Weight293.37 g/mol
Exact Mass293.04
IUPAC Name(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(1,3-thiazol-2-ylmethylsulfanyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](SCc2nccs2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H15NO5S2/c12-3-5-7(13)8(14)9(15)10(16-5)18-4-6-11-1-2-17-6/h1-2,5,7-10,12-15H,3-4H2/t5-,7+,8+,9-,10-/m1/s1
InChIKeyMFFONMMXFYTDMX-MFQRKTBASA-N
XLogP-0.82
TPSA103.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(1,3-thiazol-2-ylmethylsulfanyl)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

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(4-hydroxyphenyl)methylsulfanyl]oxane-3,4,5-triol
CID 175595528
(2S,5R)-2-[(4-aminophenyl)methylsulfanyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163285499
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]disulfanyl]oxane-3,4,5-triol
CID 87850351
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(4-phenylmethoxyphenyl)methylsulfanyl]oxane-3,4,5-triol
CID 25182955
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-propylsulfanyloxane-3,4,5-triol
CID 14775982
2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylacetonitrile
CID 132563280
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(1-phenyltriazol-4-yl)methylsulfanyl]oxane-3,4,5-triol
CID 72543874
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-methylsulfanyloxane-3,4,5-triol
CID 51404259
(2R,3S,4S,5S)-2-(hydroxymethyl)-6-methylsulfanyloxane-3,4,5-triol
CID 67362044
(3S,4S,5S,6R)-2-tert-butylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 167420678
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-sulfanylbutylsulfanyl)oxane-3,4,5-triol
CID 101204867
(2S,3R,4R,5R,6S)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
CID 11140243

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(1,3-thiazol-2-ylmethylsulfanyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(1,3-thiazol-2-ylmethylsulfanyl)oxane-3,4,5-triol (CID 146487272) is (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(1,3-thiazol-2-ylmethylsulfanyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(1,3-thiazol-2-ylmethylsulfanyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(1,3-thiazol-2-ylmethylsulfanyl)oxane-3,4,5-triol is OC[C@H]1O[C@H](SCc2nccs2)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(1,3-thiazol-2-ylmethylsulfanyl)oxane-3,4,5-triol?
The InChIKey is MFFONMMXFYTDMX-MFQRKTBASA-N. The full InChI is InChI=1S/C10H15NO5S2/c12-3-5-7(13)8(14)9(15)10(16-5)18-4-6-11-1-2-17-6/h1-2,5,7-10,12-15H,3-4H2/t5-,7+,8+,9-,10-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(1,3-thiazol-2-ylmethylsulfanyl)oxane-3,4,5-triol?
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(1,3-thiazol-2-ylmethylsulfanyl)oxane-3,4,5-triol has a molecular weight of 293.37 g/mol, XLogP of -0.82, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(1,3-thiazol-2-ylmethylsulfanyl)oxane-3,4,5-triol is sourced from PubChem (CID 146487272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).