(4R,5R)-4-hydroxy-5-[(1R)-1-iodoethyl]oxolan-2-one

C6H9IO3 — CID 134989575

IUPAC(4R,5R)-4-hydroxy-5-[(1R)-1-iodoethyl]oxolan-2-one
SMILESC[C@@H](I)[C@@H]1OC(=O)C[C@H]1O
InChIInChI=1S/C6H9IO3/c1-3(7)6-4(8)2-5(9)10-6/h3-4,6,8H,2H2,1H3/t3-,4-,6+/m1/s1
InChIKeyJFFSAXXIQBWUFQ-KODRXGBYSA-N
MW256.04 g/mol
LogP0.49
Rot. Bonds1

About (4R,5R)-4-hydroxy-5-[(1R)-1-iodoethyl]oxolan-2-one

(4R,5R)-4-hydroxy-5-[(1R)-1-iodoethyl]oxolan-2-one (PubChem CID 134989575) has the molecular formula C6H9IO3 and a molecular weight of 256.04 g/mol. Its IUPAC name is (4R,5R)-4-hydroxy-5-[(1R)-1-iodoethyl]oxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-hydroxy-5-[(1R)-1-iodoethyl]oxolan-2-one
PubChem CID134989575
Molecular FormulaC6H9IO3
Molecular Weight256.04 g/mol
Exact Mass255.96
IUPAC Name(4R,5R)-4-hydroxy-5-[(1R)-1-iodoethyl]oxolan-2-one
SMILESC[C@@H](I)[C@@H]1OC(=O)C[C@H]1O
InChIInChI=1S/C6H9IO3/c1-3(7)6-4(8)2-5(9)10-6/h3-4,6,8H,2H2,1H3/t3-,4-,6+/m1/s1
InChIKeyJFFSAXXIQBWUFQ-KODRXGBYSA-N
XLogP0.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.04
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-hydroxy-5-[(1R)-1-iodoethyl]oxolan-2-one?
The IUPAC name of (4R,5R)-4-hydroxy-5-[(1R)-1-iodoethyl]oxolan-2-one (CID 134989575) is (4R,5R)-4-hydroxy-5-[(1R)-1-iodoethyl]oxolan-2-one.
What is the SMILES notation for (4R,5R)-4-hydroxy-5-[(1R)-1-iodoethyl]oxolan-2-one?
The canonical SMILES for (4R,5R)-4-hydroxy-5-[(1R)-1-iodoethyl]oxolan-2-one is C[C@@H](I)[C@@H]1OC(=O)C[C@H]1O.
What is the InChIKey of (4R,5R)-4-hydroxy-5-[(1R)-1-iodoethyl]oxolan-2-one?
The InChIKey is JFFSAXXIQBWUFQ-KODRXGBYSA-N. The full InChI is InChI=1S/C6H9IO3/c1-3(7)6-4(8)2-5(9)10-6/h3-4,6,8H,2H2,1H3/t3-,4-,6+/m1/s1.
What are the key properties of (4R,5R)-4-hydroxy-5-[(1R)-1-iodoethyl]oxolan-2-one?
(4R,5R)-4-hydroxy-5-[(1R)-1-iodoethyl]oxolan-2-one has a molecular weight of 256.04 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-hydroxy-5-[(1R)-1-iodoethyl]oxolan-2-one is sourced from PubChem (CID 134989575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).