(2R,3S,4R,5S)-2-(hydroxymethyl)-5-thiophen-2-yloxolane-3,4-diol

C9H12O4S — CID 10751206

IUPAC(2R,3S,4R,5S)-2-(hydroxymethyl)-5-thiophen-2-yloxolane-3,4-diol
SMILESOC[C@H]1O[C@H](c2cccs2)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H12O4S/c10-4-5-7(11)8(12)9(13-5)6-2-1-3-14-6/h1-3,5,7-12H,4H2/t5-,7-,8-,9-/m1/s1
InChIKeyUSVJUBJADMWQFL-ZOQUXTDFSA-N
MW216.26 g/mol
LogP-0.10
Rot. Bonds2

About (2R,3S,4R,5S)-2-(hydroxymethyl)-5-thiophen-2-yloxolane-3,4-diol

(2R,3S,4R,5S)-2-(hydroxymethyl)-5-thiophen-2-yloxolane-3,4-diol (PubChem CID 10751206) has the molecular formula C9H12O4S and a molecular weight of 216.26 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-thiophen-2-yloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-thiophen-2-yloxolane-3,4-diol
PubChem CID10751206
Molecular FormulaC9H12O4S
Molecular Weight216.26 g/mol
Exact Mass216.05
IUPAC Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-thiophen-2-yloxolane-3,4-diol
SMILESOC[C@H]1O[C@H](c2cccs2)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H12O4S/c10-4-5-7(11)8(12)9(13-5)6-2-1-3-14-6/h1-3,5,7-12H,4H2/t5-,7-,8-,9-/m1/s1
InChIKeyUSVJUBJADMWQFL-ZOQUXTDFSA-N
XLogP-0.10
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-thiophen-2-yloxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-thiophen-2-yloxolane-3,4-diol (CID 10751206) is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-thiophen-2-yloxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-thiophen-2-yloxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-thiophen-2-yloxolane-3,4-diol is OC[C@H]1O[C@H](c2cccs2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-thiophen-2-yloxolane-3,4-diol?
The InChIKey is USVJUBJADMWQFL-ZOQUXTDFSA-N. The full InChI is InChI=1S/C9H12O4S/c10-4-5-7(11)8(12)9(13-5)6-2-1-3-14-6/h1-3,5,7-12H,4H2/t5-,7-,8-,9-/m1/s1.
What are the key properties of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-thiophen-2-yloxolane-3,4-diol?
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-thiophen-2-yloxolane-3,4-diol has a molecular weight of 216.26 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-thiophen-2-yloxolane-3,4-diol is sourced from PubChem (CID 10751206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).