2-(hydroxymethyl)-6-sulfanyloxyoxan-4-ol

C6H12O4S — CID 177228872

IUPAC2-(hydroxymethyl)-6-sulfanyloxyoxan-4-ol
SMILESOCC1CC(O)CC(OS)O1
InChIInChI=1S/C6H12O4S/c7-3-5-1-4(8)2-6(9-5)10-11/h4-8,11H,1-3H2
InChIKeyLSFJEUNELUSINM-UHFFFAOYSA-N
MW180.22 g/mol
LogP-0.29
Rot. Bonds2

About 2-(hydroxymethyl)-6-sulfanyloxyoxan-4-ol

2-(hydroxymethyl)-6-sulfanyloxyoxan-4-ol (PubChem CID 177228872) has the molecular formula C6H12O4S and a molecular weight of 180.22 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-sulfanyloxyoxan-4-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-sulfanyloxyoxan-4-ol
PubChem CID177228872
Molecular FormulaC6H12O4S
Molecular Weight180.22 g/mol
Exact Mass180.05
IUPAC Name2-(hydroxymethyl)-6-sulfanyloxyoxan-4-ol
SMILESOCC1CC(O)CC(OS)O1
InChIInChI=1S/C6H12O4S/c7-3-5-1-4(8)2-6(9-5)10-11/h4-8,11H,1-3H2
InChIKeyLSFJEUNELUSINM-UHFFFAOYSA-N
XLogP-0.29
TPSA58.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethyl)-6-methoxyoxan-4-ol
CID 14831299
(2S)-6-(hydroxymethyl)oxane-2,4-diol
CID 147942620
(2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol
CID 146246874
(2S,4S,6S)-2-[(3R,4S)-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxan-4-ol
CID 138512598
2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 123211378
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-6-(hydroxymethyl)oxan-4-ol
CID 169106537
ethanamine;ethene;(2S,4R)-2-(hydroxymethyl)-6-methyloxan-4-ol
CID 142157408
2-[3-[(2R)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol
CID 129199188
N-[(3R,5S)-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 166986240
(2S)-2-(hydroxymethyl)-6-[2-[(4-sulfanylphenyl)methyl]thiophen-3-yl]oxyoxan-4-ol
CID 167231249
N-[2-hydroxy-5-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 166986328
N-[(3R,5S)-2-hydroxy-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 166986247

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-sulfanyloxyoxan-4-ol?
The IUPAC name of 2-(hydroxymethyl)-6-sulfanyloxyoxan-4-ol (CID 177228872) is 2-(hydroxymethyl)-6-sulfanyloxyoxan-4-ol.
What is the SMILES notation for 2-(hydroxymethyl)-6-sulfanyloxyoxan-4-ol?
The canonical SMILES for 2-(hydroxymethyl)-6-sulfanyloxyoxan-4-ol is OCC1CC(O)CC(OS)O1.
What is the InChIKey of 2-(hydroxymethyl)-6-sulfanyloxyoxan-4-ol?
The InChIKey is LSFJEUNELUSINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4S/c7-3-5-1-4(8)2-6(9-5)10-11/h4-8,11H,1-3H2.
What are the key properties of 2-(hydroxymethyl)-6-sulfanyloxyoxan-4-ol?
2-(hydroxymethyl)-6-sulfanyloxyoxan-4-ol has a molecular weight of 180.22 g/mol, XLogP of -0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-sulfanyloxyoxan-4-ol is sourced from PubChem (CID 177228872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).