(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yloxy)oxolane-3,4-diol

C8H11NO5S — CID 91415398

IUPAC(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yloxy)oxolane-3,4-diol
SMILESOC[C@H]1O[C@H](Oc2nccs2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H11NO5S/c10-3-4-5(11)6(12)7(13-4)14-8-9-1-2-15-8/h1-2,4-7,10-12H,3H2/t4-,5-,6+,7-/m1/s1
InChIKeyOIVQATDWHLWFDO-MVIOUDGNSA-N
MW233.24 g/mol
LogP-1.04
Rot. Bonds3

About (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yloxy)oxolane-3,4-diol

(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yloxy)oxolane-3,4-diol (PubChem CID 91415398) has the molecular formula C8H11NO5S and a molecular weight of 233.24 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yloxy)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yloxy)oxolane-3,4-diol
PubChem CID91415398
Molecular FormulaC8H11NO5S
Molecular Weight233.24 g/mol
Exact Mass233.04
IUPAC Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yloxy)oxolane-3,4-diol
SMILESOC[C@H]1O[C@H](Oc2nccs2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H11NO5S/c10-3-4-5(11)6(12)7(13-4)14-8-9-1-2-15-8/h1-2,4-7,10-12H,3H2/t4-,5-,6+,7-/m1/s1
InChIKeyOIVQATDWHLWFDO-MVIOUDGNSA-N
XLogP-1.04
TPSA92.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yloxy)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yloxy)oxolane-3,4-diol (CID 91415398) is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yloxy)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yloxy)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yloxy)oxolane-3,4-diol is OC[C@H]1O[C@H](Oc2nccs2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yloxy)oxolane-3,4-diol?
The InChIKey is OIVQATDWHLWFDO-MVIOUDGNSA-N. The full InChI is InChI=1S/C8H11NO5S/c10-3-4-5(11)6(12)7(13-4)14-8-9-1-2-15-8/h1-2,4-7,10-12H,3H2/t4-,5-,6+,7-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yloxy)oxolane-3,4-diol?
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yloxy)oxolane-3,4-diol has a molecular weight of 233.24 g/mol, XLogP of -1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yloxy)oxolane-3,4-diol is sourced from PubChem (CID 91415398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).