[(4R)-2-oxo-1,3,2-dioxathiolan-4-yl]methanol

C3H6O4S — CID 101003866

IUPAC[(4R)-2-oxo-1,3,2-dioxathiolan-4-yl]methanol
SMILESO=S1OC[C@@H](CO)O1
InChIInChI=1S/C3H6O4S/c4-1-3-2-6-8(5)7-3/h3-4H,1-2H2/t3-,8?/m1/s1
InChIKeyWIPAUXGFNHDOOK-ZIBWXETASA-N
MW138.14 g/mol
LogP-1.03
Rot. Bonds1

About [(4R)-2-oxo-1,3,2-dioxathiolan-4-yl]methanol

[(4R)-2-oxo-1,3,2-dioxathiolan-4-yl]methanol (PubChem CID 101003866) has the molecular formula C3H6O4S and a molecular weight of 138.14 g/mol. Its IUPAC name is [(4R)-2-oxo-1,3,2-dioxathiolan-4-yl]methanol.

Molecular Properties

Compound Name[(4R)-2-oxo-1,3,2-dioxathiolan-4-yl]methanol
PubChem CID101003866
Molecular FormulaC3H6O4S
Molecular Weight138.14 g/mol
Exact Mass138.00
IUPAC Name[(4R)-2-oxo-1,3,2-dioxathiolan-4-yl]methanol
SMILESO=S1OC[C@@H](CO)O1
InChIInChI=1S/C3H6O4S/c4-1-3-2-6-8(5)7-3/h3-4H,1-2H2/t3-,8?/m1/s1
InChIKeyWIPAUXGFNHDOOK-ZIBWXETASA-N
XLogP-1.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1,3,2-dioxathiolane 2-oxide
CID 14594671
(2-oxo-1,3,2-dioxathiolan-4-yl)methyl hydrogen sulfite
CID 175441207
4-iodo-1,3,2-dioxathiolane 2-oxide
CID 71446513
(4R)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 11819074
(4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 10080384
dioxetan-3-ylmethanol;propane-1,2,3-triol
CID 87331116
oxiran-2-ylmethanol;phosphoric acid
CID 87891587
molecular iodine;oxiran-2-ylmethanol
CID 159687317
2-methylpropan-1-ol;oxiran-2-ylmethanol
CID 174774669
4,5-diethynyl-1,3,2-dioxathiane 2-oxide
CID 89446455
oxiran-2-ylmethanol;propane
CID 91466926
(4S,6S)-6-(hydroxymethyl)oxane-3,4-diol
CID 89129444

Frequently Asked Questions

What is the IUPAC name of [(4R)-2-oxo-1,3,2-dioxathiolan-4-yl]methanol?
The IUPAC name of [(4R)-2-oxo-1,3,2-dioxathiolan-4-yl]methanol (CID 101003866) is [(4R)-2-oxo-1,3,2-dioxathiolan-4-yl]methanol.
What is the SMILES notation for [(4R)-2-oxo-1,3,2-dioxathiolan-4-yl]methanol?
The canonical SMILES for [(4R)-2-oxo-1,3,2-dioxathiolan-4-yl]methanol is O=S1OC[C@@H](CO)O1.
What is the InChIKey of [(4R)-2-oxo-1,3,2-dioxathiolan-4-yl]methanol?
The InChIKey is WIPAUXGFNHDOOK-ZIBWXETASA-N. The full InChI is InChI=1S/C3H6O4S/c4-1-3-2-6-8(5)7-3/h3-4H,1-2H2/t3-,8?/m1/s1.
What are the key properties of [(4R)-2-oxo-1,3,2-dioxathiolan-4-yl]methanol?
[(4R)-2-oxo-1,3,2-dioxathiolan-4-yl]methanol has a molecular weight of 138.14 g/mol, XLogP of -1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-oxo-1,3,2-dioxathiolan-4-yl]methanol is sourced from PubChem (CID 101003866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).