(2R,3S,4S,5R,6R)-2-butan-2-yloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane

C14H28O6 — CID 91752301

IUPAC(2R,3S,4S,5R,6R)-2-butan-2-yloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane
SMILESCCC(C)O[C@@H]1O[C@H](COC)[C@@H](OC)[C@H](OC)[C@@H]1OC
InChIInChI=1S/C14H28O6/c1-7-9(2)19-14-13(18-6)12(17-5)11(16-4)10(20-14)8-15-3/h9-14H,7-8H2,1-6H3/t9?,10-,11-,12+,13+,14-/m1/s1
InChIKeyXDPVZURCZKIZAJ-OUPQFMHESA-N
MW292.37 g/mol
LogP1.22
Rot. Bonds8

About (2R,3S,4S,5R,6R)-2-butan-2-yloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane

(2R,3S,4S,5R,6R)-2-butan-2-yloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane (PubChem CID 91752301) has the molecular formula C14H28O6 and a molecular weight of 292.37 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-butan-2-yloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-butan-2-yloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane
PubChem CID91752301
Molecular FormulaC14H28O6
Molecular Weight292.37 g/mol
Exact Mass292.19
IUPAC Name(2R,3S,4S,5R,6R)-2-butan-2-yloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane
SMILESCCC(C)O[C@@H]1O[C@H](COC)[C@@H](OC)[C@H](OC)[C@@H]1OC
InChIInChI=1S/C14H28O6/c1-7-9(2)19-14-13(18-6)12(17-5)11(16-4)10(20-14)8-15-3/h9-14H,7-8H2,1-6H3/t9?,10-,11-,12+,13+,14-/m1/s1
InChIKeyXDPVZURCZKIZAJ-OUPQFMHESA-N
XLogP1.22
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5R,6R)-2-butan-2-yloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane with MolForge

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Related Compounds

(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)oxane
CID 12900878
3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 91701485
(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
(2S,3R,4R,5R,6S)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 124798414
(2S,3R,4R,5R,6S)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5S,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 124798413
N-[ethoxy-[(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine
CID 102094013
(2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[2-[2-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethoxy]ethoxy]oxane
CID 101182912
2-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethanol
CID 129030971
[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl] acetate
CID 23253170
(3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane
CID 59039688
(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,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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-butan-2-yloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
The IUPAC name of (2R,3S,4S,5R,6R)-2-butan-2-yloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane (CID 91752301) is (2R,3S,4S,5R,6R)-2-butan-2-yloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-butan-2-yloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-butan-2-yloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane is CCC(C)O[C@@H]1O[C@H](COC)[C@@H](OC)[C@H](OC)[C@@H]1OC.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-butan-2-yloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
The InChIKey is XDPVZURCZKIZAJ-OUPQFMHESA-N. The full InChI is InChI=1S/C14H28O6/c1-7-9(2)19-14-13(18-6)12(17-5)11(16-4)10(20-14)8-15-3/h9-14H,7-8H2,1-6H3/t9?,10-,11-,12+,13+,14-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-butan-2-yloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
(2R,3S,4S,5R,6R)-2-butan-2-yloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane has a molecular weight of 292.37 g/mol, XLogP of 1.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-butan-2-yloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane is sourced from PubChem (CID 91752301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).