(2R,4S,5R)-4-hydroxy-4,5-diphenyloxolane-2-carboxylic acid

C17H16O4 — CID 25188731

IUPAC(2R,4S,5R)-4-hydroxy-4,5-diphenyloxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@](O)(c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C17H16O4/c18-16(19)14-11-17(20,13-9-5-2-6-10-13)15(21-14)12-7-3-1-4-8-12/h1-10,14-15,20H,11H2,(H,18,19)/t14-,15-,17+/m1/s1
InChIKeyFGUUVQJWAJCTJQ-INMHGKMJSA-N
MW284.31 g/mol
LogP2.49
Rot. Bonds3

About (2R,4S,5R)-4-hydroxy-4,5-diphenyloxolane-2-carboxylic acid

(2R,4S,5R)-4-hydroxy-4,5-diphenyloxolane-2-carboxylic acid (PubChem CID 25188731) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R,4S,5R)-4-hydroxy-4,5-diphenyloxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S,5R)-4-hydroxy-4,5-diphenyloxolane-2-carboxylic acid
PubChem CID25188731
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name(2R,4S,5R)-4-hydroxy-4,5-diphenyloxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@](O)(c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C17H16O4/c18-16(19)14-11-17(20,13-9-5-2-6-10-13)15(21-14)12-7-3-1-4-8-12/h1-10,14-15,20H,11H2,(H,18,19)/t14-,15-,17+/m1/s1
InChIKeyFGUUVQJWAJCTJQ-INMHGKMJSA-N
XLogP2.49
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-4-hydroxy-4,5-diphenyloxolane-2-carboxylic acid?
The IUPAC name of (2R,4S,5R)-4-hydroxy-4,5-diphenyloxolane-2-carboxylic acid (CID 25188731) is (2R,4S,5R)-4-hydroxy-4,5-diphenyloxolane-2-carboxylic acid.
What is the SMILES notation for (2R,4S,5R)-4-hydroxy-4,5-diphenyloxolane-2-carboxylic acid?
The canonical SMILES for (2R,4S,5R)-4-hydroxy-4,5-diphenyloxolane-2-carboxylic acid is O=C(O)[C@H]1C[C@](O)(c2ccccc2)[C@@H](c2ccccc2)O1.
What is the InChIKey of (2R,4S,5R)-4-hydroxy-4,5-diphenyloxolane-2-carboxylic acid?
The InChIKey is FGUUVQJWAJCTJQ-INMHGKMJSA-N. The full InChI is InChI=1S/C17H16O4/c18-16(19)14-11-17(20,13-9-5-2-6-10-13)15(21-14)12-7-3-1-4-8-12/h1-10,14-15,20H,11H2,(H,18,19)/t14-,15-,17+/m1/s1.
What are the key properties of (2R,4S,5R)-4-hydroxy-4,5-diphenyloxolane-2-carboxylic acid?
(2R,4S,5R)-4-hydroxy-4,5-diphenyloxolane-2-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-4-hydroxy-4,5-diphenyloxolane-2-carboxylic acid is sourced from PubChem (CID 25188731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).