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

C8H11NO4S — CID 70465211

IUPAC(2R,3S,4R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolane-3,4-diol
SMILESOC[C@H]1OC(c2nccs2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H11NO4S/c10-3-4-5(11)6(12)7(13-4)8-9-1-2-14-8/h1-2,4-7,10-12H,3H2/t4-,5-,6-,7?/m1/s1
InChIKeyAKBXOQLMOUFVKB-RKEPMNIXSA-N
MW217.25 g/mol
LogP-0.70
Rot. Bonds2

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

(2R,3S,4R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolane-3,4-diol (PubChem CID 70465211) has the molecular formula C8H11NO4S and a molecular weight of 217.25 g/mol. Its IUPAC name is (2R,3S,4R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolane-3,4-diol
PubChem CID70465211
Molecular FormulaC8H11NO4S
Molecular Weight217.25 g/mol
Exact Mass217.04
IUPAC Name(2R,3S,4R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolane-3,4-diol
SMILESOC[C@H]1OC(c2nccs2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H11NO4S/c10-3-4-5(11)6(12)7(13-4)8-9-1-2-14-8/h1-2,4-7,10-12H,3H2/t4-,5-,6-,7?/m1/s1
InChIKeyAKBXOQLMOUFVKB-RKEPMNIXSA-N
XLogP-0.70
TPSA82.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolane-3,4-diol 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 (2R,3S,4R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolane-3,4-diol (CID 70465211) is (2R,3S,4R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolane-3,4-diol is OC[C@H]1OC(c2nccs2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolane-3,4-diol?
The InChIKey is AKBXOQLMOUFVKB-RKEPMNIXSA-N. The full InChI is InChI=1S/C8H11NO4S/c10-3-4-5(11)6(12)7(13-4)8-9-1-2-14-8/h1-2,4-7,10-12H,3H2/t4-,5-,6-,7?/m1/s1.
What are the key properties of (2R,3S,4R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolane-3,4-diol?
(2R,3S,4R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolane-3,4-diol has a molecular weight of 217.25 g/mol, XLogP of -0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolane-3,4-diol is sourced from PubChem (CID 70465211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).