(1S)-1-[(2R,3S,4R,5S)-5-ethoxy-3-hydroxy-4-methoxyoxolan-2-yl]ethane-1,2-diol

C9H18O6 — CID 70617572

IUPAC(1S)-1-[(2R,3S,4R,5S)-5-ethoxy-3-hydroxy-4-methoxyoxolan-2-yl]ethane-1,2-diol
SMILESCCO[C@H]1O[C@H]([C@@H](O)CO)[C@H](O)[C@H]1OC
InChIInChI=1S/C9H18O6/c1-3-14-9-8(13-2)6(12)7(15-9)5(11)4-10/h5-12H,3-4H2,1-2H3/t5-,6-,7+,8+,9-/m0/s1
InChIKeyMQFKOSNDIBGAIN-ABXGFROZSA-N
MW222.24 g/mol
LogP-1.52
Rot. Bonds5

About (1S)-1-[(2R,3S,4R,5S)-5-ethoxy-3-hydroxy-4-methoxyoxolan-2-yl]ethane-1,2-diol

(1S)-1-[(2R,3S,4R,5S)-5-ethoxy-3-hydroxy-4-methoxyoxolan-2-yl]ethane-1,2-diol (PubChem CID 70617572) has the molecular formula C9H18O6 and a molecular weight of 222.24 g/mol. Its IUPAC name is (1S)-1-[(2R,3S,4R,5S)-5-ethoxy-3-hydroxy-4-methoxyoxolan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-[(2R,3S,4R,5S)-5-ethoxy-3-hydroxy-4-methoxyoxolan-2-yl]ethane-1,2-diol
PubChem CID70617572
Molecular FormulaC9H18O6
Molecular Weight222.24 g/mol
Exact Mass222.11
IUPAC Name(1S)-1-[(2R,3S,4R,5S)-5-ethoxy-3-hydroxy-4-methoxyoxolan-2-yl]ethane-1,2-diol
SMILESCCO[C@H]1O[C@H]([C@@H](O)CO)[C@H](O)[C@H]1OC
InChIInChI=1S/C9H18O6/c1-3-14-9-8(13-2)6(12)7(15-9)5(11)4-10/h5-12H,3-4H2,1-2H3/t5-,6-,7+,8+,9-/m0/s1
InChIKeyMQFKOSNDIBGAIN-ABXGFROZSA-N
XLogP-1.52
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R,3S,4R,5S)-5-ethoxy-3-hydroxy-4-methoxyoxolan-2-yl]ethane-1,2-diol?
The IUPAC name of (1S)-1-[(2R,3S,4R,5S)-5-ethoxy-3-hydroxy-4-methoxyoxolan-2-yl]ethane-1,2-diol (CID 70617572) is (1S)-1-[(2R,3S,4R,5S)-5-ethoxy-3-hydroxy-4-methoxyoxolan-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1S)-1-[(2R,3S,4R,5S)-5-ethoxy-3-hydroxy-4-methoxyoxolan-2-yl]ethane-1,2-diol?
The canonical SMILES for (1S)-1-[(2R,3S,4R,5S)-5-ethoxy-3-hydroxy-4-methoxyoxolan-2-yl]ethane-1,2-diol is CCO[C@H]1O[C@H]([C@@H](O)CO)[C@H](O)[C@H]1OC.
What is the InChIKey of (1S)-1-[(2R,3S,4R,5S)-5-ethoxy-3-hydroxy-4-methoxyoxolan-2-yl]ethane-1,2-diol?
The InChIKey is MQFKOSNDIBGAIN-ABXGFROZSA-N. The full InChI is InChI=1S/C9H18O6/c1-3-14-9-8(13-2)6(12)7(15-9)5(11)4-10/h5-12H,3-4H2,1-2H3/t5-,6-,7+,8+,9-/m0/s1.
What are the key properties of (1S)-1-[(2R,3S,4R,5S)-5-ethoxy-3-hydroxy-4-methoxyoxolan-2-yl]ethane-1,2-diol?
(1S)-1-[(2R,3S,4R,5S)-5-ethoxy-3-hydroxy-4-methoxyoxolan-2-yl]ethane-1,2-diol has a molecular weight of 222.24 g/mol, XLogP of -1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R,3S,4R,5S)-5-ethoxy-3-hydroxy-4-methoxyoxolan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 70617572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).