2-[(2S,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]propan-2-ol

C12H24O5 — CID 134975572

IUPAC2-[(2S,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]propan-2-ol
SMILESCOC[C@H]1O[C@H](C(C)(C)O)C[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C12H24O5/c1-12(2,13)10-6-8(15-4)11(16-5)9(17-10)7-14-3/h8-11,13H,6-7H2,1-5H3/t8-,9-,10+,11+/m1/s1
InChIKeyWGQMAFFXCDBNHE-ZNSHCXBVSA-N
MW248.32 g/mol
LogP0.59
Rot. Bonds5

About 2-[(2S,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]propan-2-ol

2-[(2S,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]propan-2-ol (PubChem CID 134975572) has the molecular formula C12H24O5 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[(2S,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]propan-2-ol
PubChem CID134975572
Molecular FormulaC12H24O5
Molecular Weight248.32 g/mol
Exact Mass248.16
IUPAC Name2-[(2S,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]propan-2-ol
SMILESCOC[C@H]1O[C@H](C(C)(C)O)C[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C12H24O5/c1-12(2,13)10-6-8(15-4)11(16-5)9(17-10)7-14-3/h8-11,13H,6-7H2,1-5H3/t8-,9-,10+,11+/m1/s1
InChIKeyWGQMAFFXCDBNHE-ZNSHCXBVSA-N
XLogP0.59
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]propan-2-ol?
The IUPAC name of 2-[(2S,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]propan-2-ol (CID 134975572) is 2-[(2S,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2S,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]propan-2-ol is COC[C@H]1O[C@H](C(C)(C)O)C[C@@H](OC)[C@@H]1OC.
What is the InChIKey of 2-[(2S,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]propan-2-ol?
The InChIKey is WGQMAFFXCDBNHE-ZNSHCXBVSA-N. The full InChI is InChI=1S/C12H24O5/c1-12(2,13)10-6-8(15-4)11(16-5)9(17-10)7-14-3/h8-11,13H,6-7H2,1-5H3/t8-,9-,10+,11+/m1/s1.
What are the key properties of 2-[(2S,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]propan-2-ol?
2-[(2S,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]propan-2-ol has a molecular weight of 248.32 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]propan-2-ol is sourced from PubChem (CID 134975572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).