(2S,3S,4R,5R)-2-[(1R)-1,2-dimethoxyethyl]-3,4,5-trimethoxyoxolane

C11H22O6 — CID 22215467

IUPAC(2S,3S,4R,5R)-2-[(1R)-1,2-dimethoxyethyl]-3,4,5-trimethoxyoxolane
SMILESCOC[C@@H](OC)[C@@H]1O[C@@H](OC)[C@H](OC)[C@H]1OC
InChIInChI=1S/C11H22O6/c1-12-6-7(13-2)8-9(14-3)10(15-4)11(16-5)17-8/h7-11H,6H2,1-5H3/t7-,8+,9+,10-,11-/m1/s1
InChIKeyMWCGWFVDFLEGFY-ZKKRXERASA-N
MW250.29 g/mol
LogP0.05
Rot. Bonds7

About (2S,3S,4R,5R)-2-[(1R)-1,2-dimethoxyethyl]-3,4,5-trimethoxyoxolane

(2S,3S,4R,5R)-2-[(1R)-1,2-dimethoxyethyl]-3,4,5-trimethoxyoxolane (PubChem CID 22215467) has the molecular formula C11H22O6 and a molecular weight of 250.29 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2-[(1R)-1,2-dimethoxyethyl]-3,4,5-trimethoxyoxolane.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2-[(1R)-1,2-dimethoxyethyl]-3,4,5-trimethoxyoxolane
PubChem CID22215467
Molecular FormulaC11H22O6
Molecular Weight250.29 g/mol
Exact Mass250.14
IUPAC Name(2S,3S,4R,5R)-2-[(1R)-1,2-dimethoxyethyl]-3,4,5-trimethoxyoxolane
SMILESCOC[C@@H](OC)[C@@H]1O[C@@H](OC)[C@H](OC)[C@H]1OC
InChIInChI=1S/C11H22O6/c1-12-6-7(13-2)8-9(14-3)10(15-4)11(16-5)17-8/h7-11H,6H2,1-5H3/t7-,8+,9+,10-,11-/m1/s1
InChIKeyMWCGWFVDFLEGFY-ZKKRXERASA-N
XLogP0.05
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-2-[(1R)-1,2-dimethoxyethyl]-3,4,5-trimethoxyoxolane?
The IUPAC name of (2S,3S,4R,5R)-2-[(1R)-1,2-dimethoxyethyl]-3,4,5-trimethoxyoxolane (CID 22215467) is (2S,3S,4R,5R)-2-[(1R)-1,2-dimethoxyethyl]-3,4,5-trimethoxyoxolane.
What is the SMILES notation for (2S,3S,4R,5R)-2-[(1R)-1,2-dimethoxyethyl]-3,4,5-trimethoxyoxolane?
The canonical SMILES for (2S,3S,4R,5R)-2-[(1R)-1,2-dimethoxyethyl]-3,4,5-trimethoxyoxolane is COC[C@@H](OC)[C@@H]1O[C@@H](OC)[C@H](OC)[C@H]1OC.
What is the InChIKey of (2S,3S,4R,5R)-2-[(1R)-1,2-dimethoxyethyl]-3,4,5-trimethoxyoxolane?
The InChIKey is MWCGWFVDFLEGFY-ZKKRXERASA-N. The full InChI is InChI=1S/C11H22O6/c1-12-6-7(13-2)8-9(14-3)10(15-4)11(16-5)17-8/h7-11H,6H2,1-5H3/t7-,8+,9+,10-,11-/m1/s1.
What are the key properties of (2S,3S,4R,5R)-2-[(1R)-1,2-dimethoxyethyl]-3,4,5-trimethoxyoxolane?
(2S,3S,4R,5R)-2-[(1R)-1,2-dimethoxyethyl]-3,4,5-trimethoxyoxolane has a molecular weight of 250.29 g/mol, XLogP of 0.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2-[(1R)-1,2-dimethoxyethyl]-3,4,5-trimethoxyoxolane is sourced from PubChem (CID 22215467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).