2-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethanol

C12H24O7 — CID 129030971

IUPAC2-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethanol
SMILESCOC[C@H]1O[C@@H](OCCO)[C@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C12H24O7/c1-14-7-8-9(15-2)10(16-3)11(17-4)12(19-8)18-6-5-13/h8-13H,5-7H2,1-4H3/t8-,9-,10+,11-,12-/m1/s1
InChIKeyNVCAAPVXUGVHFE-RMPHRYRLSA-N
MW280.32 g/mol
LogP-0.59
Rot. Bonds8

About 2-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethanol

2-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethanol (PubChem CID 129030971) has the molecular formula C12H24O7 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethanol
PubChem CID129030971
Molecular FormulaC12H24O7
Molecular Weight280.32 g/mol
Exact Mass280.15
IUPAC Name2-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethanol
SMILESCOC[C@H]1O[C@@H](OCCO)[C@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C12H24O7/c1-14-7-8-9(15-2)10(16-3)11(17-4)12(19-8)18-6-5-13/h8-13H,5-7H2,1-4H3/t8-,9-,10+,11-,12-/m1/s1
InChIKeyNVCAAPVXUGVHFE-RMPHRYRLSA-N
XLogP-0.59
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethanol with MolForge

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Related Compounds

(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
(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
(3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane
CID 59039688
(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,5S,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 124798413
(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
[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl] acetate
CID 23253170
(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
(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-ol
CID 156615341
4-[(2S,3R,4R,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]butan-1-ol
CID 102320502
(2R,4S,6R)-5-methoxy-2-(methoxymethyl)-6-(3-methylbutoxy)-3,4-di(propan-2-yloxy)oxane
CID 163958040

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethanol?
The IUPAC name of 2-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethanol (CID 129030971) is 2-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethanol.
What is the SMILES notation for 2-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethanol?
The canonical SMILES for 2-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethanol is COC[C@H]1O[C@@H](OCCO)[C@H](OC)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of 2-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethanol?
The InChIKey is NVCAAPVXUGVHFE-RMPHRYRLSA-N. The full InChI is InChI=1S/C12H24O7/c1-14-7-8-9(15-2)10(16-3)11(17-4)12(19-8)18-6-5-13/h8-13H,5-7H2,1-4H3/t8-,9-,10+,11-,12-/m1/s1.
What are the key properties of 2-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethanol?
2-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethanol has a molecular weight of 280.32 g/mol, XLogP of -0.59, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethanol is sourced from PubChem (CID 129030971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).