(2R,3R,4R,5S,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-methyloxane

C11H22O5 — CID 14157735

IUPAC(2R,3R,4R,5S,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-methyloxane
SMILESCOC[C@H]1O[C@H](C)[C@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C11H22O5/c1-7-9(13-3)11(15-5)10(14-4)8(16-7)6-12-2/h7-11H,6H2,1-5H3/t7-,8-,9+,10-,11-/m1/s1
InChIKeyMKCFMWMMGKZYHT-KAMPLNKDSA-N
MW234.29 g/mol
LogP0.47
Rot. Bonds5

About (2R,3R,4R,5S,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-methyloxane

(2R,3R,4R,5S,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-methyloxane (PubChem CID 14157735) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-methyloxane.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-methyloxane
PubChem CID14157735
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name(2R,3R,4R,5S,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-methyloxane
SMILESCOC[C@H]1O[C@H](C)[C@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C11H22O5/c1-7-9(13-3)11(15-5)10(14-4)8(16-7)6-12-2/h7-11H,6H2,1-5H3/t7-,8-,9+,10-,11-/m1/s1
InChIKeyMKCFMWMMGKZYHT-KAMPLNKDSA-N
XLogP0.47
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-methyloxane?
The IUPAC name of (2R,3R,4R,5S,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-methyloxane (CID 14157735) is (2R,3R,4R,5S,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-methyloxane.
What is the SMILES notation for (2R,3R,4R,5S,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-methyloxane?
The canonical SMILES for (2R,3R,4R,5S,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-methyloxane is COC[C@H]1O[C@H](C)[C@H](OC)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of (2R,3R,4R,5S,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-methyloxane?
The InChIKey is MKCFMWMMGKZYHT-KAMPLNKDSA-N. The full InChI is InChI=1S/C11H22O5/c1-7-9(13-3)11(15-5)10(14-4)8(16-7)6-12-2/h7-11H,6H2,1-5H3/t7-,8-,9+,10-,11-/m1/s1.
What are the key properties of (2R,3R,4R,5S,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-methyloxane?
(2R,3R,4R,5S,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-methyloxane has a molecular weight of 234.29 g/mol, XLogP of 0.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-methyloxane is sourced from PubChem (CID 14157735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).