methyl 3-methoxy-2-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxypropanoate

C15H28O9 — CID 560522

IUPACmethyl 3-methoxy-2-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxypropanoate
SMILESCOCC(OC1OC(COC)C(OC)C(OC)C1OC)C(=O)OC
InChIInChI=1S/C15H28O9/c1-17-7-9-11(19-3)12(20-4)13(21-5)15(23-9)24-10(8-18-2)14(16)22-6/h9-13,15H,7-8H2,1-6H3
InChIKeyGDTQJOZSECEUEH-UHFFFAOYSA-N
MW352.38 g/mol
LogP-0.39
Rot. Bonds10

About methyl 3-methoxy-2-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxypropanoate

methyl 3-methoxy-2-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxypropanoate (PubChem CID 560522) has the molecular formula C15H28O9 and a molecular weight of 352.38 g/mol. Its IUPAC name is methyl 3-methoxy-2-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxypropanoate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxypropanoate
PubChem CID560522
Molecular FormulaC15H28O9
Molecular Weight352.38 g/mol
Exact Mass352.17
IUPAC Namemethyl 3-methoxy-2-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxypropanoate
SMILESCOCC(OC1OC(COC)C(OC)C(OC)C1OC)C(=O)OC
InChIInChI=1S/C15H28O9/c1-17-7-9-11(19-3)12(20-4)13(21-5)15(23-9)24-10(8-18-2)14(16)22-6/h9-13,15H,7-8H2,1-6H3
InChIKeyGDTQJOZSECEUEH-UHFFFAOYSA-N
XLogP-0.39
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxypropanoate?
The IUPAC name of methyl 3-methoxy-2-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxypropanoate (CID 560522) is methyl 3-methoxy-2-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxypropanoate.
What is the SMILES notation for methyl 3-methoxy-2-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxypropanoate?
The canonical SMILES for methyl 3-methoxy-2-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxypropanoate is COCC(OC1OC(COC)C(OC)C(OC)C1OC)C(=O)OC.
What is the InChIKey of methyl 3-methoxy-2-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxypropanoate?
The InChIKey is GDTQJOZSECEUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O9/c1-17-7-9-11(19-3)12(20-4)13(21-5)15(23-9)24-10(8-18-2)14(16)22-6/h9-13,15H,7-8H2,1-6H3.
What are the key properties of methyl 3-methoxy-2-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxypropanoate?
methyl 3-methoxy-2-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxypropanoate has a molecular weight of 352.38 g/mol, XLogP of -0.39, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxypropanoate is sourced from PubChem (CID 560522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).