2-[3,4-dimethoxy-2,4-bis(methoxymethyl)oxolan-2-yl]oxy-3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane

C29H54O16 — CID 91702007

IUPAC2-[3,4-dimethoxy-2,4-bis(methoxymethyl)oxolan-2-yl]oxy-3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane
SMILESCOCC1OC(OCC2OC(OC3(COC)OCC(COC)(OC)C3OC)C(OC)C(OC)C2OC)C(OC)C(OC)C1OC
InChIInChI=1S/C29H54O16/c1-30-12-17-19(33-4)21(35-6)23(37-8)25(43-17)41-13-18-20(34-5)22(36-7)24(38-9)26(44-18)45-29(16-32-3)27(39-10)28(40-11,14-31-2)15-42-29/h17-27H,12-16H2,1-11H3
InChIKeyBAWHIEMNCAYFJN-UHFFFAOYSA-N
MW658.73 g/mol
LogP-0.37
Rot. Bonds19

About 2-[3,4-dimethoxy-2,4-bis(methoxymethyl)oxolan-2-yl]oxy-3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane

2-[3,4-dimethoxy-2,4-bis(methoxymethyl)oxolan-2-yl]oxy-3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane (PubChem CID 91702007) has the molecular formula C29H54O16 and a molecular weight of 658.73 g/mol. Its IUPAC name is 2-[3,4-dimethoxy-2,4-bis(methoxymethyl)oxolan-2-yl]oxy-3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane.

Molecular Properties

Compound Name2-[3,4-dimethoxy-2,4-bis(methoxymethyl)oxolan-2-yl]oxy-3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane
PubChem CID91702007
Molecular FormulaC29H54O16
Molecular Weight658.73 g/mol
Exact Mass658.34
IUPAC Name2-[3,4-dimethoxy-2,4-bis(methoxymethyl)oxolan-2-yl]oxy-3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane
SMILESCOCC1OC(OCC2OC(OC3(COC)OCC(COC)(OC)C3OC)C(OC)C(OC)C2OC)C(OC)C(OC)C1OC
InChIInChI=1S/C29H54O16/c1-30-12-17-19(33-4)21(35-6)23(37-8)25(43-17)41-13-18-20(34-5)22(36-7)24(38-9)26(44-18)45-29(16-32-3)27(39-10)28(40-11,14-31-2)15-42-29/h17-27H,12-16H2,1-11H3
InChIKeyBAWHIEMNCAYFJN-UHFFFAOYSA-N
XLogP-0.37
TPSA147.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.73
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-[3,4-dimethoxy-2,4-bis(methoxymethyl)oxolan-2-yl]oxy-3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane with MolForge

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Launch Full Analysis

Related Compounds

Methylcellulose (4000 cps)
CID 51063134
1,3,4,6-Tetra-O-methylhex-2-ulofuranosyl 2,3,4,6-tetra-O-methylhexopyranoside
CID 219887
Maltotriose, permethyl
CID 22950330
(2R,3S,4S,5R,6R)-4-[(2S,3R,4S,5S)-5-[(1R)-1,2-dimethoxyethyl]-3,4-dimethoxyoxolan-2-yl]oxy-3,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane
CID 162880540
(2R,3S,4S,5R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane
CID 162900727
(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
(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
Octa-O-methylsucrose
CID 13832817
[(1R,4S,5R,6R,8R,11R,12R,15S,16S)-4,5,12,15,16-pentaacetyloxy-6-methoxy-2,7,10,14-tetraoxatricyclo[10.2.2.03,8]hexadecan-11-yl]methyl acetate
CID 90352093
beta-Gentiobiose octamethyl
CID 525129
Athylcellulose
CID 129627696
Methylcelluloselosung
CID 129630655

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dimethoxy-2,4-bis(methoxymethyl)oxolan-2-yl]oxy-3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane?
The IUPAC name of 2-[3,4-dimethoxy-2,4-bis(methoxymethyl)oxolan-2-yl]oxy-3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane (CID 91702007) is 2-[3,4-dimethoxy-2,4-bis(methoxymethyl)oxolan-2-yl]oxy-3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane.
What is the SMILES notation for 2-[3,4-dimethoxy-2,4-bis(methoxymethyl)oxolan-2-yl]oxy-3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane?
The canonical SMILES for 2-[3,4-dimethoxy-2,4-bis(methoxymethyl)oxolan-2-yl]oxy-3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane is COCC1OC(OCC2OC(OC3(COC)OCC(COC)(OC)C3OC)C(OC)C(OC)C2OC)C(OC)C(OC)C1OC.
What is the InChIKey of 2-[3,4-dimethoxy-2,4-bis(methoxymethyl)oxolan-2-yl]oxy-3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane?
The InChIKey is BAWHIEMNCAYFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H54O16/c1-30-12-17-19(33-4)21(35-6)23(37-8)25(43-17)41-13-18-20(34-5)22(36-7)24(38-9)26(44-18)45-29(16-32-3)27(39-10)28(40-11,14-31-2)15-42-29/h17-27H,12-16H2,1-11H3.
What are the key properties of 2-[3,4-dimethoxy-2,4-bis(methoxymethyl)oxolan-2-yl]oxy-3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane?
2-[3,4-dimethoxy-2,4-bis(methoxymethyl)oxolan-2-yl]oxy-3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane has a molecular weight of 658.73 g/mol, XLogP of -0.37, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dimethoxy-2,4-bis(methoxymethyl)oxolan-2-yl]oxy-3,4,5-trimethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane is sourced from PubChem (CID 91702007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).