(2,2-dihydroxyoxathian-4-yl) formate

C5H10O5S — CID 90003084

IUPAC(2,2-dihydroxyoxathian-4-yl) formate
SMILESO=COC1CCOS(O)(O)C1
InChIInChI=1S/C5H10O5S/c6-4-9-5-1-2-10-11(7,8)3-5/h4-5,7-8H,1-3H2
InChIKeyHDFRVJGOEJKYFA-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.61
Rot. Bonds2

About (2,2-dihydroxyoxathian-4-yl) formate

(2,2-dihydroxyoxathian-4-yl) formate (PubChem CID 90003084) has the molecular formula C5H10O5S and a molecular weight of 182.20 g/mol. Its IUPAC name is (2,2-dihydroxyoxathian-4-yl) formate.

Molecular Properties

Compound Name(2,2-dihydroxyoxathian-4-yl) formate
PubChem CID90003084
Molecular FormulaC5H10O5S
Molecular Weight182.20 g/mol
Exact Mass182.02
IUPAC Name(2,2-dihydroxyoxathian-4-yl) formate
SMILESO=COC1CCOS(O)(O)C1
InChIInChI=1S/C5H10O5S/c6-4-9-5-1-2-10-11(7,8)3-5/h4-5,7-8H,1-3H2
InChIKeyHDFRVJGOEJKYFA-UHFFFAOYSA-N
XLogP0.61
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2-dihydroxyoxathian-4-yl) formate?
The IUPAC name of (2,2-dihydroxyoxathian-4-yl) formate (CID 90003084) is (2,2-dihydroxyoxathian-4-yl) formate.
What is the SMILES notation for (2,2-dihydroxyoxathian-4-yl) formate?
The canonical SMILES for (2,2-dihydroxyoxathian-4-yl) formate is O=COC1CCOS(O)(O)C1.
What is the InChIKey of (2,2-dihydroxyoxathian-4-yl) formate?
The InChIKey is HDFRVJGOEJKYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5S/c6-4-9-5-1-2-10-11(7,8)3-5/h4-5,7-8H,1-3H2.
What are the key properties of (2,2-dihydroxyoxathian-4-yl) formate?
(2,2-dihydroxyoxathian-4-yl) formate has a molecular weight of 182.20 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dihydroxyoxathian-4-yl) formate is sourced from PubChem (CID 90003084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).