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

C11H22O5 — CID 176646378

IUPAC(2R,4S,5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-methyloxane
SMILESCOCC1O[C@@H](OC)C(OC)[C@@H](OC)[C@@H]1C
InChIInChI=1S/C11H22O5/c1-7-8(6-12-2)16-11(15-5)10(14-4)9(7)13-3/h7-11H,6H2,1-5H3/t7-,8?,9+,10?,11-/m1/s1
InChIKeyRLHYRJBWXTVSJK-NYBUSTLHSA-N
MW234.29 g/mol
LogP0.67
Rot. Bonds5

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

(2R,4S,5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-methyloxane (PubChem CID 176646378) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is (2R,4S,5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-methyloxane.

Molecular Properties

Compound Name(2R,4S,5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-methyloxane
PubChem CID176646378
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name(2R,4S,5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-methyloxane
SMILESCOCC1O[C@@H](OC)C(OC)[C@@H](OC)[C@@H]1C
InChIInChI=1S/C11H22O5/c1-7-8(6-12-2)16-11(15-5)10(14-4)9(7)13-3/h7-11H,6H2,1-5H3/t7-,8?,9+,10?,11-/m1/s1
InChIKeyRLHYRJBWXTVSJK-NYBUSTLHSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-methyloxane?
The IUPAC name of (2R,4S,5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-methyloxane (CID 176646378) is (2R,4S,5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-methyloxane.
What is the SMILES notation for (2R,4S,5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-methyloxane?
The canonical SMILES for (2R,4S,5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-methyloxane is COCC1O[C@@H](OC)C(OC)[C@@H](OC)[C@@H]1C.
What is the InChIKey of (2R,4S,5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-methyloxane?
The InChIKey is RLHYRJBWXTVSJK-NYBUSTLHSA-N. The full InChI is InChI=1S/C11H22O5/c1-7-8(6-12-2)16-11(15-5)10(14-4)9(7)13-3/h7-11H,6H2,1-5H3/t7-,8?,9+,10?,11-/m1/s1.
What are the key properties of (2R,4S,5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-methyloxane?
(2R,4S,5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-methyloxane has a molecular weight of 234.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-methyloxane is sourced from PubChem (CID 176646378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).