(5R)-5-[(2S)-2-[(2R,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-methoxyethyl]-5-methoxyfuran-2-one

C12H18O6 — CID 139589663

IUPAC(5R)-5-[(2S)-2-[(2R,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-methoxyethyl]-5-methoxyfuran-2-one
SMILESCO[C@@H](C[C@]1(OC)C=CC(=O)O1)[C@H]1O[C@H]1[C@H](C)O
InChIInChI=1S/C12H18O6/c1-7(13)10-11(17-10)8(15-2)6-12(16-3)5-4-9(14)18-12/h4-5,7-8,10-11,13H,6H2,1-3H3/t7-,8-,10-,11+,12-/m0/s1
InChIKeyINCMIDZCFLXDFG-TZAKJNRTSA-N
MW258.27 g/mol
LogP-0.00
Rot. Bonds6

About (5R)-5-[(2S)-2-[(2R,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-methoxyethyl]-5-methoxyfuran-2-one

(5R)-5-[(2S)-2-[(2R,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-methoxyethyl]-5-methoxyfuran-2-one (PubChem CID 139589663) has the molecular formula C12H18O6 and a molecular weight of 258.27 g/mol. Its IUPAC name is (5R)-5-[(2S)-2-[(2R,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-methoxyethyl]-5-methoxyfuran-2-one.

Molecular Properties

Compound Name(5R)-5-[(2S)-2-[(2R,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-methoxyethyl]-5-methoxyfuran-2-one
PubChem CID139589663
Molecular FormulaC12H18O6
Molecular Weight258.27 g/mol
Exact Mass258.11
IUPAC Name(5R)-5-[(2S)-2-[(2R,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-methoxyethyl]-5-methoxyfuran-2-one
SMILESCO[C@@H](C[C@]1(OC)C=CC(=O)O1)[C@H]1O[C@H]1[C@H](C)O
InChIInChI=1S/C12H18O6/c1-7(13)10-11(17-10)8(15-2)6-12(16-3)5-4-9(14)18-12/h4-5,7-8,10-11,13H,6H2,1-3H3/t7-,8-,10-,11+,12-/m0/s1
InChIKeyINCMIDZCFLXDFG-TZAKJNRTSA-N
XLogP-0.00
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2S)-2-[(2R,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-methoxyethyl]-5-methoxyfuran-2-one?
The IUPAC name of (5R)-5-[(2S)-2-[(2R,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-methoxyethyl]-5-methoxyfuran-2-one (CID 139589663) is (5R)-5-[(2S)-2-[(2R,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-methoxyethyl]-5-methoxyfuran-2-one.
What is the SMILES notation for (5R)-5-[(2S)-2-[(2R,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-methoxyethyl]-5-methoxyfuran-2-one?
The canonical SMILES for (5R)-5-[(2S)-2-[(2R,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-methoxyethyl]-5-methoxyfuran-2-one is CO[C@@H](C[C@]1(OC)C=CC(=O)O1)[C@H]1O[C@H]1[C@H](C)O.
What is the InChIKey of (5R)-5-[(2S)-2-[(2R,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-methoxyethyl]-5-methoxyfuran-2-one?
The InChIKey is INCMIDZCFLXDFG-TZAKJNRTSA-N. The full InChI is InChI=1S/C12H18O6/c1-7(13)10-11(17-10)8(15-2)6-12(16-3)5-4-9(14)18-12/h4-5,7-8,10-11,13H,6H2,1-3H3/t7-,8-,10-,11+,12-/m0/s1.
What are the key properties of (5R)-5-[(2S)-2-[(2R,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-methoxyethyl]-5-methoxyfuran-2-one?
(5R)-5-[(2S)-2-[(2R,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-methoxyethyl]-5-methoxyfuran-2-one has a molecular weight of 258.27 g/mol, XLogP of -0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2S)-2-[(2R,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-methoxyethyl]-5-methoxyfuran-2-one is sourced from PubChem (CID 139589663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).