(1R,2S,4S,5S,6S)-5-[[(1R,2R,3R,4S,5R)-5-hydroxy-3-methoxy-7-oxabicyclo[2.2.1]heptan-2-yl]selanyl]-6-methoxy-7-oxabicyclo[2.2.1]heptan-2-ol

C14H22O6Se — CID 14981289

IUPAC(1R,2S,4S,5S,6S)-5-[[(1R,2R,3R,4S,5R)-5-hydroxy-3-methoxy-7-oxabicyclo[2.2.1]heptan-2-yl]selanyl]-6-methoxy-7-oxabicyclo[2.2.1]heptan-2-ol
SMILESCO[C@@H]1[C@H]2O[C@H](C[C@H]2O)[C@H]1[Se][C@@H]1[C@@H](OC)[C@@H]2O[C@H]1C[C@@H]2O
InChIInChI=1S/C14H22O6Se/c1-17-11-9-5(15)3-7(19-9)13(11)21-14-8-4-6(16)10(20-8)12(14)18-2/h5-16H,3-4H2,1-2H3/t5-,6+,7-,8+,9+,10-,11-,12+,13-,14+
InChIKeyVLCIUQZFSQGWDR-BUSYIMPOSA-N
MW365.28 g/mol
LogP-0.64
Rot. Bonds4

About (1R,2S,4S,5S,6S)-5-[[(1R,2R,3R,4S,5R)-5-hydroxy-3-methoxy-7-oxabicyclo[2.2.1]heptan-2-yl]selanyl]-6-methoxy-7-oxabicyclo[2.2.1]heptan-2-ol

(1R,2S,4S,5S,6S)-5-[[(1R,2R,3R,4S,5R)-5-hydroxy-3-methoxy-7-oxabicyclo[2.2.1]heptan-2-yl]selanyl]-6-methoxy-7-oxabicyclo[2.2.1]heptan-2-ol (PubChem CID 14981289) has the molecular formula C14H22O6Se and a molecular weight of 365.28 g/mol. Its IUPAC name is (1R,2S,4S,5S,6S)-5-[[(1R,2R,3R,4S,5R)-5-hydroxy-3-methoxy-7-oxabicyclo[2.2.1]heptan-2-yl]selanyl]-6-methoxy-7-oxabicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2S,4S,5S,6S)-5-[[(1R,2R,3R,4S,5R)-5-hydroxy-3-methoxy-7-oxabicyclo[2.2.1]heptan-2-yl]selanyl]-6-methoxy-7-oxabicyclo[2.2.1]heptan-2-ol
PubChem CID14981289
Molecular FormulaC14H22O6Se
Molecular Weight365.28 g/mol
Exact Mass366.06
IUPAC Name(1R,2S,4S,5S,6S)-5-[[(1R,2R,3R,4S,5R)-5-hydroxy-3-methoxy-7-oxabicyclo[2.2.1]heptan-2-yl]selanyl]-6-methoxy-7-oxabicyclo[2.2.1]heptan-2-ol
SMILESCO[C@@H]1[C@H]2O[C@H](C[C@H]2O)[C@H]1[Se][C@@H]1[C@@H](OC)[C@@H]2O[C@H]1C[C@@H]2O
InChIInChI=1S/C14H22O6Se/c1-17-11-9-5(15)3-7(19-9)13(11)21-14-8-4-6(16)10(20-8)12(14)18-2/h5-16H,3-4H2,1-2H3/t5-,6+,7-,8+,9+,10-,11-,12+,13-,14+
InChIKeyVLCIUQZFSQGWDR-BUSYIMPOSA-N
XLogP-0.64
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R,2S,4S,5S,6S)-5-[[(1R,2R,3R,4S,5R)-5-hydroxy-3-methoxy-7-oxabicyclo[2.2.1]heptan-2-yl]selanyl]-6-methoxy-7-oxabicyclo[2.2.1]heptan-2-ol with MolForge

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Related Compounds

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CID 10866852
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CID 11333170
(2S,3R,5S)-2,5-dimethoxyoxolan-3-ol
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(1S,2S,3R,4S,5R,6S)-5-methoxy-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
CID 130831191

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S,5S,6S)-5-[[(1R,2R,3R,4S,5R)-5-hydroxy-3-methoxy-7-oxabicyclo[2.2.1]heptan-2-yl]selanyl]-6-methoxy-7-oxabicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2S,4S,5S,6S)-5-[[(1R,2R,3R,4S,5R)-5-hydroxy-3-methoxy-7-oxabicyclo[2.2.1]heptan-2-yl]selanyl]-6-methoxy-7-oxabicyclo[2.2.1]heptan-2-ol (CID 14981289) is (1R,2S,4S,5S,6S)-5-[[(1R,2R,3R,4S,5R)-5-hydroxy-3-methoxy-7-oxabicyclo[2.2.1]heptan-2-yl]selanyl]-6-methoxy-7-oxabicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2S,4S,5S,6S)-5-[[(1R,2R,3R,4S,5R)-5-hydroxy-3-methoxy-7-oxabicyclo[2.2.1]heptan-2-yl]selanyl]-6-methoxy-7-oxabicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2S,4S,5S,6S)-5-[[(1R,2R,3R,4S,5R)-5-hydroxy-3-methoxy-7-oxabicyclo[2.2.1]heptan-2-yl]selanyl]-6-methoxy-7-oxabicyclo[2.2.1]heptan-2-ol is CO[C@@H]1[C@H]2O[C@H](C[C@H]2O)[C@H]1[Se][C@@H]1[C@@H](OC)[C@@H]2O[C@H]1C[C@@H]2O.
What is the InChIKey of (1R,2S,4S,5S,6S)-5-[[(1R,2R,3R,4S,5R)-5-hydroxy-3-methoxy-7-oxabicyclo[2.2.1]heptan-2-yl]selanyl]-6-methoxy-7-oxabicyclo[2.2.1]heptan-2-ol?
The InChIKey is VLCIUQZFSQGWDR-BUSYIMPOSA-N. The full InChI is InChI=1S/C14H22O6Se/c1-17-11-9-5(15)3-7(19-9)13(11)21-14-8-4-6(16)10(20-8)12(14)18-2/h5-16H,3-4H2,1-2H3/t5-,6+,7-,8+,9+,10-,11-,12+,13-,14+.
What are the key properties of (1R,2S,4S,5S,6S)-5-[[(1R,2R,3R,4S,5R)-5-hydroxy-3-methoxy-7-oxabicyclo[2.2.1]heptan-2-yl]selanyl]-6-methoxy-7-oxabicyclo[2.2.1]heptan-2-ol?
(1R,2S,4S,5S,6S)-5-[[(1R,2R,3R,4S,5R)-5-hydroxy-3-methoxy-7-oxabicyclo[2.2.1]heptan-2-yl]selanyl]-6-methoxy-7-oxabicyclo[2.2.1]heptan-2-ol has a molecular weight of 365.28 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S,5S,6S)-5-[[(1R,2R,3R,4S,5R)-5-hydroxy-3-methoxy-7-oxabicyclo[2.2.1]heptan-2-yl]selanyl]-6-methoxy-7-oxabicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 14981289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).