(5S)-5-[(2R,5R)-5-[(1S)-1-hydroxyethyl]-2,5-dihydrofuran-2-yl]oxolan-2-one

C10H14O4 — CID 162989621

IUPAC(5S)-5-[(2R,5R)-5-[(1S)-1-hydroxyethyl]-2,5-dihydrofuran-2-yl]oxolan-2-one
SMILESC[C@H](O)[C@H]1C=C[C@H]([C@@H]2CCC(=O)O2)O1
InChIInChI=1S/C10H14O4/c1-6(11)7-2-3-8(13-7)9-4-5-10(12)14-9/h2-3,6-9,11H,4-5H2,1H3/t6-,7+,8+,9-/m0/s1
InChIKeySJSGYYGIRSKXTM-KDXUFGMBSA-N
MW198.22 g/mol
LogP0.40
Rot. Bonds2

About (5S)-5-[(2R,5R)-5-[(1S)-1-hydroxyethyl]-2,5-dihydrofuran-2-yl]oxolan-2-one

(5S)-5-[(2R,5R)-5-[(1S)-1-hydroxyethyl]-2,5-dihydrofuran-2-yl]oxolan-2-one (PubChem CID 162989621) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (5S)-5-[(2R,5R)-5-[(1S)-1-hydroxyethyl]-2,5-dihydrofuran-2-yl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(2R,5R)-5-[(1S)-1-hydroxyethyl]-2,5-dihydrofuran-2-yl]oxolan-2-one
PubChem CID162989621
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(5S)-5-[(2R,5R)-5-[(1S)-1-hydroxyethyl]-2,5-dihydrofuran-2-yl]oxolan-2-one
SMILESC[C@H](O)[C@H]1C=C[C@H]([C@@H]2CCC(=O)O2)O1
InChIInChI=1S/C10H14O4/c1-6(11)7-2-3-8(13-7)9-4-5-10(12)14-9/h2-3,6-9,11H,4-5H2,1H3/t6-,7+,8+,9-/m0/s1
InChIKeySJSGYYGIRSKXTM-KDXUFGMBSA-N
XLogP0.40
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2R,5R)-5-[(1S)-1-hydroxyethyl]-2,5-dihydrofuran-2-yl]oxolan-2-one?
The IUPAC name of (5S)-5-[(2R,5R)-5-[(1S)-1-hydroxyethyl]-2,5-dihydrofuran-2-yl]oxolan-2-one (CID 162989621) is (5S)-5-[(2R,5R)-5-[(1S)-1-hydroxyethyl]-2,5-dihydrofuran-2-yl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(2R,5R)-5-[(1S)-1-hydroxyethyl]-2,5-dihydrofuran-2-yl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(2R,5R)-5-[(1S)-1-hydroxyethyl]-2,5-dihydrofuran-2-yl]oxolan-2-one is C[C@H](O)[C@H]1C=C[C@H]([C@@H]2CCC(=O)O2)O1.
What is the InChIKey of (5S)-5-[(2R,5R)-5-[(1S)-1-hydroxyethyl]-2,5-dihydrofuran-2-yl]oxolan-2-one?
The InChIKey is SJSGYYGIRSKXTM-KDXUFGMBSA-N. The full InChI is InChI=1S/C10H14O4/c1-6(11)7-2-3-8(13-7)9-4-5-10(12)14-9/h2-3,6-9,11H,4-5H2,1H3/t6-,7+,8+,9-/m0/s1.
What are the key properties of (5S)-5-[(2R,5R)-5-[(1S)-1-hydroxyethyl]-2,5-dihydrofuran-2-yl]oxolan-2-one?
(5S)-5-[(2R,5R)-5-[(1S)-1-hydroxyethyl]-2,5-dihydrofuran-2-yl]oxolan-2-one has a molecular weight of 198.22 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2R,5R)-5-[(1S)-1-hydroxyethyl]-2,5-dihydrofuran-2-yl]oxolan-2-one is sourced from PubChem (CID 162989621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).