(2R)-2-phenyl-2-sulfinooxyacetic acid

C8H8O5S — CID 59917554

IUPAC(2R)-2-phenyl-2-sulfinooxyacetic acid
SMILESO=C(O)[C@H](OS(=O)O)c1ccccc1
InChIInChI=1S/C8H8O5S/c9-8(10)7(13-14(11)12)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)(H,11,12)/t7-/m1/s1
InChIKeyDOSYIONVGMUWDT-SSDOTTSWSA-N
MW216.21 g/mol
LogP0.97
Rot. Bonds4

About (2R)-2-phenyl-2-sulfinooxyacetic acid

(2R)-2-phenyl-2-sulfinooxyacetic acid (PubChem CID 59917554) has the molecular formula C8H8O5S and a molecular weight of 216.21 g/mol. Its IUPAC name is (2R)-2-phenyl-2-sulfinooxyacetic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2-sulfinooxyacetic acid
PubChem CID59917554
Molecular FormulaC8H8O5S
Molecular Weight216.21 g/mol
Exact Mass216.01
IUPAC Name(2R)-2-phenyl-2-sulfinooxyacetic acid
SMILESO=C(O)[C@H](OS(=O)O)c1ccccc1
InChIInChI=1S/C8H8O5S/c9-8(10)7(13-14(11)12)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)(H,11,12)/t7-/m1/s1
InChIKeyDOSYIONVGMUWDT-SSDOTTSWSA-N
XLogP0.97
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-phenyl-2-sulfinooxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[chloro(phenyl)methyl] hydrogen sulfite
CID 174463851
(2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid
CID 54256901
4-phenyl-4-sulfinooxy-2-(trifluoromethyl)butanoic acid
CID 174287158
(2R)-2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid;hydrochloride
CID 66764263
(2S)-2-cyclopropyloxy-2-phenylacetic acid
CID 167014814
2-phenyl-2-sulfamoyloxyacetic acid
CID 19108711
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
(2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate
CID 14706693
(2R)-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetic acid
CID 102450257
(3-amino-1-phenylbutyl) hydrogen sulfite
CID 174541474
2-[9-[carboxy(phenyl)methoxy]-9-oxononanoyl]oxy-2-phenylacetic acid
CID 101455888

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-sulfinooxyacetic acid?
The IUPAC name of (2R)-2-phenyl-2-sulfinooxyacetic acid (CID 59917554) is (2R)-2-phenyl-2-sulfinooxyacetic acid.
What is the SMILES notation for (2R)-2-phenyl-2-sulfinooxyacetic acid?
The canonical SMILES for (2R)-2-phenyl-2-sulfinooxyacetic acid is O=C(O)[C@H](OS(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-sulfinooxyacetic acid?
The InChIKey is DOSYIONVGMUWDT-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8O5S/c9-8(10)7(13-14(11)12)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-sulfinooxyacetic acid?
(2R)-2-phenyl-2-sulfinooxyacetic acid has a molecular weight of 216.21 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-sulfinooxyacetic acid is sourced from PubChem (CID 59917554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).