[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]oxymethyl-triphenylphosphanium

C23H21NO3PS+ — CID 138522006

IUPAC[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]oxymethyl-triphenylphosphanium
SMILESO=C1N[C@H](C(=O)OC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CS1
InChIInChI=1S/C23H20NO3PS/c25-22(21-16-29-23(26)24-21)27-17-28(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/p+1/t21-/m0/s1
InChIKeyCKDISHBDFUWAKA-NRFANRHFSA-O
MW422.47 g/mol
LogP3.31
Rot. Bonds6

About [(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]oxymethyl-triphenylphosphanium

[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]oxymethyl-triphenylphosphanium (PubChem CID 138522006) has the molecular formula C23H21NO3PS+ and a molecular weight of 422.47 g/mol. Its IUPAC name is [(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]oxymethyl-triphenylphosphanium.

Molecular Properties

Compound Name[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]oxymethyl-triphenylphosphanium
PubChem CID138522006
Molecular FormulaC23H21NO3PS+
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC Name[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]oxymethyl-triphenylphosphanium
SMILESO=C1N[C@H](C(=O)OC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CS1
InChIInChI=1S/C23H20NO3PS/c25-22(21-16-29-23(26)24-21)27-17-28(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/p+1/t21-/m0/s1
InChIKeyCKDISHBDFUWAKA-NRFANRHFSA-O
XLogP3.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]oxymethyl-triphenylphosphanium?
The IUPAC name of [(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]oxymethyl-triphenylphosphanium (CID 138522006) is [(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]oxymethyl-triphenylphosphanium.
What is the SMILES notation for [(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]oxymethyl-triphenylphosphanium?
The canonical SMILES for [(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]oxymethyl-triphenylphosphanium is O=C1N[C@H](C(=O)OC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CS1.
What is the InChIKey of [(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]oxymethyl-triphenylphosphanium?
The InChIKey is CKDISHBDFUWAKA-NRFANRHFSA-O. The full InChI is InChI=1S/C23H20NO3PS/c25-22(21-16-29-23(26)24-21)27-17-28(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/p+1/t21-/m0/s1.
What are the key properties of [(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]oxymethyl-triphenylphosphanium?
[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]oxymethyl-triphenylphosphanium has a molecular weight of 422.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]oxymethyl-triphenylphosphanium is sourced from PubChem (CID 138522006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).