[(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate

C11H20O6 — CID 22214876

IUPAC[(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate
SMILESCO[C@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H](OC)[C@@H]1OC
InChIInChI=1S/C11H20O6/c1-6-8(17-7(2)12)9(13-3)10(14-4)11(15-5)16-6/h6,8-11H,1-5H3/t6-,8-,9+,10+,11+/m1/s1
InChIKeyQSPJYJSAHLCWOM-OLSRCRKSSA-N
MW248.27 g/mol
LogP0.34
Rot. Bonds4

About [(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate

[(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate (PubChem CID 22214876) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is [(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate
PubChem CID22214876
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name[(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate
SMILESCO[C@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H](OC)[C@@H]1OC
InChIInChI=1S/C11H20O6/c1-6-8(17-7(2)12)9(13-3)10(14-4)11(15-5)16-6/h6,8-11H,1-5H3/t6-,8-,9+,10+,11+/m1/s1
InChIKeyQSPJYJSAHLCWOM-OLSRCRKSSA-N
XLogP0.34
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate with MolForge

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Related Compounds

[(3R,5R,6R)-5,6-diacetyloxy-4-methoxy-2-methyloxan-3-yl] acetate
CID 45050652
[(2R,3S,4S,5R,6S)-5-acetyloxy-2-methoxy-3,6-dimethyloxan-4-yl] acetate
CID 158380214
[(2S,3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-methoxy-2-methyloxan-3-yl] acetate
CID 15043215
[(2R,3S,4S,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
CID 70178929
[(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
CID 34174531
[(3S,4R,5S,6S)-4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl] acetate
CID 21307891
[(3S,4S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 70841955
[(3R,4S,6S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 71196175
[(5S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 126692010
[(2S,4S,5S,6S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 44629963
[(2S,3S,5R)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 70923261
[(2R,3S,4R,5R,6R)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 70005151

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate?
The IUPAC name of [(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate (CID 22214876) is [(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate is CO[C@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H](OC)[C@@H]1OC.
What is the InChIKey of [(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate?
The InChIKey is QSPJYJSAHLCWOM-OLSRCRKSSA-N. The full InChI is InChI=1S/C11H20O6/c1-6-8(17-7(2)12)9(13-3)10(14-4)11(15-5)16-6/h6,8-11H,1-5H3/t6-,8-,9+,10+,11+/m1/s1.
What are the key properties of [(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate?
[(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate has a molecular weight of 248.27 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate is sourced from PubChem (CID 22214876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).