3,4-dimethoxy-2-(methoxymethyl)-6-(1,3,4,5-tetramethoxypentan-2-yloxy)-5-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyoxane

C27H52O14 — CID 162900726

IUPAC3,4-dimethoxy-2-(methoxymethyl)-6-(1,3,4,5-tetramethoxypentan-2-yloxy)-5-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyoxane
SMILESCOCC(OC)C(OC)C(COC)OC1OC(COC)C(OC)C(OC)C1OC1OC(C)C(OC)C(OC)C1OC
InChIInChI=1S/C27H52O14/c1-15-19(32-6)22(35-9)24(37-11)26(38-15)41-25-23(36-10)21(34-8)18(14-30-4)40-27(25)39-17(13-29-3)20(33-7)16(31-5)12-28-2/h15-27H,12-14H2,1-11H3
InChIKeyLQLWTXHROXBIJK-UHFFFAOYSA-N
MW600.70 g/mol
LogP0.27
Rot. Bonds19

About 3,4-dimethoxy-2-(methoxymethyl)-6-(1,3,4,5-tetramethoxypentan-2-yloxy)-5-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyoxane

3,4-dimethoxy-2-(methoxymethyl)-6-(1,3,4,5-tetramethoxypentan-2-yloxy)-5-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyoxane (PubChem CID 162900726) has the molecular formula C27H52O14 and a molecular weight of 600.70 g/mol. Its IUPAC name is 3,4-dimethoxy-2-(methoxymethyl)-6-(1,3,4,5-tetramethoxypentan-2-yloxy)-5-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyoxane.

Molecular Properties

Compound Name3,4-dimethoxy-2-(methoxymethyl)-6-(1,3,4,5-tetramethoxypentan-2-yloxy)-5-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyoxane
PubChem CID162900726
Molecular FormulaC27H52O14
Molecular Weight600.70 g/mol
Exact Mass600.34
IUPAC Name3,4-dimethoxy-2-(methoxymethyl)-6-(1,3,4,5-tetramethoxypentan-2-yloxy)-5-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyoxane
SMILESCOCC(OC)C(OC)C(COC)OC1OC(COC)C(OC)C(OC)C1OC1OC(C)C(OC)C(OC)C1OC
InChIInChI=1S/C27H52O14/c1-15-19(32-6)22(35-9)24(37-11)26(38-15)41-25-23(36-10)21(34-8)18(14-30-4)40-27(25)39-17(13-29-3)20(33-7)16(31-5)12-28-2/h15-27H,12-14H2,1-11H3
InChIKeyLQLWTXHROXBIJK-UHFFFAOYSA-N
XLogP0.27
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.70
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 3,4-dimethoxy-2-(methoxymethyl)-6-(1,3,4,5-tetramethoxypentan-2-yloxy)-5-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyoxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4S,5R,6S)-3,4-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,4R,5R)-1,3,4,5,6-pentamethoxyhexan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 101281582
(2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2R,3S,4R,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxan-3-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 162844364
(2R,3S,4S,5R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 162957382
(2R,3R,4S,5R,6S)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 162957381
2-[4,5-dimethoxy-6-(methoxymethyl)-3-[(3S,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4,5,6-tetramethoxyhexanal
CID 91699139
(2R,3S,4R,5R)-2-[(2S,3R,4S,5R,6R)-4,5-dimethoxy-6-(methoxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4,5,6-tetramethoxyhexanal
CID 101286055
(2R,3R,4S,5R,6S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(2R,3R,4R,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxan-2-yl]methoxy]oxane
CID 101281571
methyl 5-[3,5-dimethoxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(1,3,4,5-tetramethoxypentan-2-yloxy)oxane-2-carboxylate
CID 91730717
(2R,3R,4S,5R,6R)-3,5-dimethoxy-2-(methoxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 24744907
3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 91701485
6-[3,5-dimethoxy-6-(methoxymethyl)-4-[(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,4,5-tetramethoxyhexanal
CID 91699166
(2S,3S,4S,5S)-2,3,4,5-tetramethoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyhexan-1-ol
CID 163409526

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-2-(methoxymethyl)-6-(1,3,4,5-tetramethoxypentan-2-yloxy)-5-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyoxane?
The IUPAC name of 3,4-dimethoxy-2-(methoxymethyl)-6-(1,3,4,5-tetramethoxypentan-2-yloxy)-5-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyoxane (CID 162900726) is 3,4-dimethoxy-2-(methoxymethyl)-6-(1,3,4,5-tetramethoxypentan-2-yloxy)-5-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyoxane.
What is the SMILES notation for 3,4-dimethoxy-2-(methoxymethyl)-6-(1,3,4,5-tetramethoxypentan-2-yloxy)-5-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyoxane?
The canonical SMILES for 3,4-dimethoxy-2-(methoxymethyl)-6-(1,3,4,5-tetramethoxypentan-2-yloxy)-5-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyoxane is COCC(OC)C(OC)C(COC)OC1OC(COC)C(OC)C(OC)C1OC1OC(C)C(OC)C(OC)C1OC.
What is the InChIKey of 3,4-dimethoxy-2-(methoxymethyl)-6-(1,3,4,5-tetramethoxypentan-2-yloxy)-5-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyoxane?
The InChIKey is LQLWTXHROXBIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52O14/c1-15-19(32-6)22(35-9)24(37-11)26(38-15)41-25-23(36-10)21(34-8)18(14-30-4)40-27(25)39-17(13-29-3)20(33-7)16(31-5)12-28-2/h15-27H,12-14H2,1-11H3.
What are the key properties of 3,4-dimethoxy-2-(methoxymethyl)-6-(1,3,4,5-tetramethoxypentan-2-yloxy)-5-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyoxane?
3,4-dimethoxy-2-(methoxymethyl)-6-(1,3,4,5-tetramethoxypentan-2-yloxy)-5-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyoxane has a molecular weight of 600.70 g/mol, XLogP of 0.27, 19 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-2-(methoxymethyl)-6-(1,3,4,5-tetramethoxypentan-2-yloxy)-5-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyoxane is sourced from PubChem (CID 162900726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).