2-[(3R)-3-hydroxy-1,1-dioxothiolan-3-yl]acetic acid

C6H10O5S — CID 175722723

IUPAC2-[(3R)-3-hydroxy-1,1-dioxothiolan-3-yl]acetic acid
SMILESO=C(O)C[C@@]1(O)CCS(=O)(=O)C1
InChIInChI=1S/C6H10O5S/c7-5(8)3-6(9)1-2-12(10,11)4-6/h9H,1-4H2,(H,7,8)/t6-/m0/s1
InChIKeyJLHBZSIXJMRASY-LURJTMIESA-N
MW194.21 g/mol
LogP-0.99
Rot. Bonds2

About 2-[(3R)-3-hydroxy-1,1-dioxothiolan-3-yl]acetic acid

2-[(3R)-3-hydroxy-1,1-dioxothiolan-3-yl]acetic acid (PubChem CID 175722723) has the molecular formula C6H10O5S and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxy-1,1-dioxothiolan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3-hydroxy-1,1-dioxothiolan-3-yl]acetic acid
PubChem CID175722723
Molecular FormulaC6H10O5S
Molecular Weight194.21 g/mol
Exact Mass194.02
IUPAC Name2-[(3R)-3-hydroxy-1,1-dioxothiolan-3-yl]acetic acid
SMILESO=C(O)C[C@@]1(O)CCS(=O)(=O)C1
InChIInChI=1S/C6H10O5S/c7-5(8)3-6(9)1-2-12(10,11)4-6/h9H,1-4H2,(H,7,8)/t6-/m0/s1
InChIKeyJLHBZSIXJMRASY-LURJTMIESA-N
XLogP-0.99
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxy-1,1-dioxothiolan-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-3-hydroxy-1,1-dioxothiolan-3-yl]acetic acid (CID 175722723) is 2-[(3R)-3-hydroxy-1,1-dioxothiolan-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-3-hydroxy-1,1-dioxothiolan-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-3-hydroxy-1,1-dioxothiolan-3-yl]acetic acid is O=C(O)C[C@@]1(O)CCS(=O)(=O)C1.
What is the InChIKey of 2-[(3R)-3-hydroxy-1,1-dioxothiolan-3-yl]acetic acid?
The InChIKey is JLHBZSIXJMRASY-LURJTMIESA-N. The full InChI is InChI=1S/C6H10O5S/c7-5(8)3-6(9)1-2-12(10,11)4-6/h9H,1-4H2,(H,7,8)/t6-/m0/s1.
What are the key properties of 2-[(3R)-3-hydroxy-1,1-dioxothiolan-3-yl]acetic acid?
2-[(3R)-3-hydroxy-1,1-dioxothiolan-3-yl]acetic acid has a molecular weight of 194.21 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-hydroxy-1,1-dioxothiolan-3-yl]acetic acid is sourced from PubChem (CID 175722723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).