(2R,3R,6S)-6-(1-ethoxyethoxy)-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol

C12H20O5 — CID 11064625

IUPAC(2R,3R,6S)-6-(1-ethoxyethoxy)-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol
SMILESCCOC(C)O[C@H]1C=C[C@@H](O)[C@H]([C@H]2O[C@@H]2C)O1
InChIInChI=1S/C12H20O5/c1-4-14-8(3)16-10-6-5-9(13)12(17-10)11-7(2)15-11/h5-13H,4H2,1-3H3/t7-,8?,9-,10-,11+,12-/m1/s1
InChIKeyPCQNSFRAJVYQGV-ZDTFREOCSA-N
MW244.29 g/mol
LogP0.81
Rot. Bonds5

About (2R,3R,6S)-6-(1-ethoxyethoxy)-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol

(2R,3R,6S)-6-(1-ethoxyethoxy)-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol (PubChem CID 11064625) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2R,3R,6S)-6-(1-ethoxyethoxy)-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3R,6S)-6-(1-ethoxyethoxy)-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol
PubChem CID11064625
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name(2R,3R,6S)-6-(1-ethoxyethoxy)-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol
SMILESCCOC(C)O[C@H]1C=C[C@@H](O)[C@H]([C@H]2O[C@@H]2C)O1
InChIInChI=1S/C12H20O5/c1-4-14-8(3)16-10-6-5-9(13)12(17-10)11-7(2)15-11/h5-13H,4H2,1-3H3/t7-,8?,9-,10-,11+,12-/m1/s1
InChIKeyPCQNSFRAJVYQGV-ZDTFREOCSA-N
XLogP0.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S)-6-(1-ethoxyethoxy)-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3R,6S)-6-(1-ethoxyethoxy)-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol (CID 11064625) is (2R,3R,6S)-6-(1-ethoxyethoxy)-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3R,6S)-6-(1-ethoxyethoxy)-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3R,6S)-6-(1-ethoxyethoxy)-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol is CCOC(C)O[C@H]1C=C[C@@H](O)[C@H]([C@H]2O[C@@H]2C)O1.
What is the InChIKey of (2R,3R,6S)-6-(1-ethoxyethoxy)-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is PCQNSFRAJVYQGV-ZDTFREOCSA-N. The full InChI is InChI=1S/C12H20O5/c1-4-14-8(3)16-10-6-5-9(13)12(17-10)11-7(2)15-11/h5-13H,4H2,1-3H3/t7-,8?,9-,10-,11+,12-/m1/s1.
What are the key properties of (2R,3R,6S)-6-(1-ethoxyethoxy)-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol?
(2R,3R,6S)-6-(1-ethoxyethoxy)-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 244.29 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-6-(1-ethoxyethoxy)-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 11064625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).