2-(2-ethoxy-1-hydroxy-2-oxoethyl)sulfanyl-2-hydroxyacetic acid

C6H10O6S — CID 91602272

IUPAC2-(2-ethoxy-1-hydroxy-2-oxoethyl)sulfanyl-2-hydroxyacetic acid
SMILESCCOC(=O)C(O)SC(O)C(=O)O
InChIInChI=1S/C6H10O6S/c1-2-12-4(9)6(11)13-5(10)3(7)8/h5-6,10-11H,2H2,1H3,(H,7,8)
InChIKeyAHZWETAYDTZIJX-UHFFFAOYSA-N
MW210.21 g/mol
LogP-1.00
Rot. Bonds5

About 2-(2-ethoxy-1-hydroxy-2-oxoethyl)sulfanyl-2-hydroxyacetic acid

2-(2-ethoxy-1-hydroxy-2-oxoethyl)sulfanyl-2-hydroxyacetic acid (PubChem CID 91602272) has the molecular formula C6H10O6S and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-(2-ethoxy-1-hydroxy-2-oxoethyl)sulfanyl-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-ethoxy-1-hydroxy-2-oxoethyl)sulfanyl-2-hydroxyacetic acid
PubChem CID91602272
Molecular FormulaC6H10O6S
Molecular Weight210.21 g/mol
Exact Mass210.02
IUPAC Name2-(2-ethoxy-1-hydroxy-2-oxoethyl)sulfanyl-2-hydroxyacetic acid
SMILESCCOC(=O)C(O)SC(O)C(=O)O
InChIInChI=1S/C6H10O6S/c1-2-12-4(9)6(11)13-5(10)3(7)8/h5-6,10-11H,2H2,1H3,(H,7,8)
InChIKeyAHZWETAYDTZIJX-UHFFFAOYSA-N
XLogP-1.00
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-1-hydroxy-2-oxoethyl)sulfanyl-2-hydroxyacetic acid?
The IUPAC name of 2-(2-ethoxy-1-hydroxy-2-oxoethyl)sulfanyl-2-hydroxyacetic acid (CID 91602272) is 2-(2-ethoxy-1-hydroxy-2-oxoethyl)sulfanyl-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-ethoxy-1-hydroxy-2-oxoethyl)sulfanyl-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-ethoxy-1-hydroxy-2-oxoethyl)sulfanyl-2-hydroxyacetic acid is CCOC(=O)C(O)SC(O)C(=O)O.
What is the InChIKey of 2-(2-ethoxy-1-hydroxy-2-oxoethyl)sulfanyl-2-hydroxyacetic acid?
The InChIKey is AHZWETAYDTZIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6S/c1-2-12-4(9)6(11)13-5(10)3(7)8/h5-6,10-11H,2H2,1H3,(H,7,8).
What are the key properties of 2-(2-ethoxy-1-hydroxy-2-oxoethyl)sulfanyl-2-hydroxyacetic acid?
2-(2-ethoxy-1-hydroxy-2-oxoethyl)sulfanyl-2-hydroxyacetic acid has a molecular weight of 210.21 g/mol, XLogP of -1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-1-hydroxy-2-oxoethyl)sulfanyl-2-hydroxyacetic acid is sourced from PubChem (CID 91602272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).