[(3R,4R,5R,6R)-4,5-dihydroxy-6-methoxyoxan-3-yl] 2,2-dimethylpropanoate

C11H20O6 — CID 139069783

IUPAC[(3R,4R,5R,6R)-4,5-dihydroxy-6-methoxyoxan-3-yl] 2,2-dimethylpropanoate
SMILESCO[C@@H]1OC[C@@H](OC(=O)C(C)(C)C)[C@H](O)[C@H]1O
InChIInChI=1S/C11H20O6/c1-11(2,3)10(14)17-6-5-16-9(15-4)8(13)7(6)12/h6-9,12-13H,5H2,1-4H3/t6-,7+,8-,9-/m1/s1
InChIKeyGFXZFPNYSOITIZ-BZNPZCIMSA-N
MW248.27 g/mol
LogP-0.33
Rot. Bonds2

About [(3R,4R,5R,6R)-4,5-dihydroxy-6-methoxyoxan-3-yl] 2,2-dimethylpropanoate

[(3R,4R,5R,6R)-4,5-dihydroxy-6-methoxyoxan-3-yl] 2,2-dimethylpropanoate (PubChem CID 139069783) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is [(3R,4R,5R,6R)-4,5-dihydroxy-6-methoxyoxan-3-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(3R,4R,5R,6R)-4,5-dihydroxy-6-methoxyoxan-3-yl] 2,2-dimethylpropanoate
PubChem CID139069783
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name[(3R,4R,5R,6R)-4,5-dihydroxy-6-methoxyoxan-3-yl] 2,2-dimethylpropanoate
SMILESCO[C@@H]1OC[C@@H](OC(=O)C(C)(C)C)[C@H](O)[C@H]1O
InChIInChI=1S/C11H20O6/c1-11(2,3)10(14)17-6-5-16-9(15-4)8(13)7(6)12/h6-9,12-13H,5H2,1-4H3/t6-,7+,8-,9-/m1/s1
InChIKeyGFXZFPNYSOITIZ-BZNPZCIMSA-N
XLogP-0.33
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R,6R)-4,5-dihydroxy-6-methoxyoxan-3-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(3R,4R,5R,6R)-4,5-dihydroxy-6-methoxyoxan-3-yl] 2,2-dimethylpropanoate (CID 139069783) is [(3R,4R,5R,6R)-4,5-dihydroxy-6-methoxyoxan-3-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(3R,4R,5R,6R)-4,5-dihydroxy-6-methoxyoxan-3-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(3R,4R,5R,6R)-4,5-dihydroxy-6-methoxyoxan-3-yl] 2,2-dimethylpropanoate is CO[C@@H]1OC[C@@H](OC(=O)C(C)(C)C)[C@H](O)[C@H]1O.
What is the InChIKey of [(3R,4R,5R,6R)-4,5-dihydroxy-6-methoxyoxan-3-yl] 2,2-dimethylpropanoate?
The InChIKey is GFXZFPNYSOITIZ-BZNPZCIMSA-N. The full InChI is InChI=1S/C11H20O6/c1-11(2,3)10(14)17-6-5-16-9(15-4)8(13)7(6)12/h6-9,12-13H,5H2,1-4H3/t6-,7+,8-,9-/m1/s1.
What are the key properties of [(3R,4R,5R,6R)-4,5-dihydroxy-6-methoxyoxan-3-yl] 2,2-dimethylpropanoate?
[(3R,4R,5R,6R)-4,5-dihydroxy-6-methoxyoxan-3-yl] 2,2-dimethylpropanoate has a molecular weight of 248.27 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R,6R)-4,5-dihydroxy-6-methoxyoxan-3-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 139069783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).