(4S,5R)-5-(hydroxymethyl)thiolane-2,4-diol

C5H10O3S — CID 18655752

IUPAC(4S,5R)-5-(hydroxymethyl)thiolane-2,4-diol
SMILESOC[C@H]1SC(O)C[C@@H]1O
InChIInChI=1S/C5H10O3S/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5?/m0/s1
InChIKeyJIHFSQHLECEOON-PYHARJCCSA-N
MW150.20 g/mol
LogP-0.84
Rot. Bonds1

About (4S,5R)-5-(hydroxymethyl)thiolane-2,4-diol

(4S,5R)-5-(hydroxymethyl)thiolane-2,4-diol (PubChem CID 18655752) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is (4S,5R)-5-(hydroxymethyl)thiolane-2,4-diol.

Molecular Properties

Compound Name(4S,5R)-5-(hydroxymethyl)thiolane-2,4-diol
PubChem CID18655752
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name(4S,5R)-5-(hydroxymethyl)thiolane-2,4-diol
SMILESOC[C@H]1SC(O)C[C@@H]1O
InChIInChI=1S/C5H10O3S/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5?/m0/s1
InChIKeyJIHFSQHLECEOON-PYHARJCCSA-N
XLogP-0.84
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-(hydroxymethyl)thiolane-2,4-diol?
The IUPAC name of (4S,5R)-5-(hydroxymethyl)thiolane-2,4-diol (CID 18655752) is (4S,5R)-5-(hydroxymethyl)thiolane-2,4-diol.
What is the SMILES notation for (4S,5R)-5-(hydroxymethyl)thiolane-2,4-diol?
The canonical SMILES for (4S,5R)-5-(hydroxymethyl)thiolane-2,4-diol is OC[C@H]1SC(O)C[C@@H]1O.
What is the InChIKey of (4S,5R)-5-(hydroxymethyl)thiolane-2,4-diol?
The InChIKey is JIHFSQHLECEOON-PYHARJCCSA-N. The full InChI is InChI=1S/C5H10O3S/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5?/m0/s1.
What are the key properties of (4S,5R)-5-(hydroxymethyl)thiolane-2,4-diol?
(4S,5R)-5-(hydroxymethyl)thiolane-2,4-diol has a molecular weight of 150.20 g/mol, XLogP of -0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-(hydroxymethyl)thiolane-2,4-diol is sourced from PubChem (CID 18655752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).