4-[4-(2-hydroxyethyl)-2,2-dioxo-1,3,2-dioxathietan-4-yl]-2,2-dioxo-1,3,2-dioxathietan-4-ol

C4H6O10S2 — CID 140542573

IUPAC4-[4-(2-hydroxyethyl)-2,2-dioxo-1,3,2-dioxathietan-4-yl]-2,2-dioxo-1,3,2-dioxathietan-4-ol
SMILESO=S1(=O)OC(O)(C2(CCO)OS(=O)(=O)O2)O1
InChIInChI=1S/C4H6O10S2/c5-2-1-3(11-15(7,8)12-3)4(6)13-16(9,10)14-4/h5-6H,1-2H2
InChIKeyOSPAYWJTXKFAQS-UHFFFAOYSA-N
MW278.22 g/mol
LogP-2.71
Rot. Bonds3

About 4-[4-(2-hydroxyethyl)-2,2-dioxo-1,3,2-dioxathietan-4-yl]-2,2-dioxo-1,3,2-dioxathietan-4-ol

4-[4-(2-hydroxyethyl)-2,2-dioxo-1,3,2-dioxathietan-4-yl]-2,2-dioxo-1,3,2-dioxathietan-4-ol (PubChem CID 140542573) has the molecular formula C4H6O10S2 and a molecular weight of 278.22 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)-2,2-dioxo-1,3,2-dioxathietan-4-yl]-2,2-dioxo-1,3,2-dioxathietan-4-ol.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)-2,2-dioxo-1,3,2-dioxathietan-4-yl]-2,2-dioxo-1,3,2-dioxathietan-4-ol
PubChem CID140542573
Molecular FormulaC4H6O10S2
Molecular Weight278.22 g/mol
Exact Mass277.94
IUPAC Name4-[4-(2-hydroxyethyl)-2,2-dioxo-1,3,2-dioxathietan-4-yl]-2,2-dioxo-1,3,2-dioxathietan-4-ol
SMILESO=S1(=O)OC(O)(C2(CCO)OS(=O)(=O)O2)O1
InChIInChI=1S/C4H6O10S2/c5-2-1-3(11-15(7,8)12-3)4(6)13-16(9,10)14-4/h5-6H,1-2H2
InChIKeyOSPAYWJTXKFAQS-UHFFFAOYSA-N
XLogP-2.71
TPSA145.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 5-2.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)-2,2-dioxo-1,3,2-dioxathietan-4-yl]-2,2-dioxo-1,3,2-dioxathietan-4-ol?
The IUPAC name of 4-[4-(2-hydroxyethyl)-2,2-dioxo-1,3,2-dioxathietan-4-yl]-2,2-dioxo-1,3,2-dioxathietan-4-ol (CID 140542573) is 4-[4-(2-hydroxyethyl)-2,2-dioxo-1,3,2-dioxathietan-4-yl]-2,2-dioxo-1,3,2-dioxathietan-4-ol.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)-2,2-dioxo-1,3,2-dioxathietan-4-yl]-2,2-dioxo-1,3,2-dioxathietan-4-ol?
The canonical SMILES for 4-[4-(2-hydroxyethyl)-2,2-dioxo-1,3,2-dioxathietan-4-yl]-2,2-dioxo-1,3,2-dioxathietan-4-ol is O=S1(=O)OC(O)(C2(CCO)OS(=O)(=O)O2)O1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)-2,2-dioxo-1,3,2-dioxathietan-4-yl]-2,2-dioxo-1,3,2-dioxathietan-4-ol?
The InChIKey is OSPAYWJTXKFAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O10S2/c5-2-1-3(11-15(7,8)12-3)4(6)13-16(9,10)14-4/h5-6H,1-2H2.
What are the key properties of 4-[4-(2-hydroxyethyl)-2,2-dioxo-1,3,2-dioxathietan-4-yl]-2,2-dioxo-1,3,2-dioxathietan-4-ol?
4-[4-(2-hydroxyethyl)-2,2-dioxo-1,3,2-dioxathietan-4-yl]-2,2-dioxo-1,3,2-dioxathietan-4-ol has a molecular weight of 278.22 g/mol, XLogP of -2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)-2,2-dioxo-1,3,2-dioxathietan-4-yl]-2,2-dioxo-1,3,2-dioxathietan-4-ol is sourced from PubChem (CID 140542573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).