(2R,3R,4S,5S,6S)-2-[(2R)-1-hydroxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-ol

C11H22O4 — CID 46198059

IUPAC(2R,3R,4S,5S,6S)-2-[(2R)-1-hydroxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-ol
SMILESCO[C@H]1O[C@H]([C@H](C)CO)[C@H](C)[C@H](O)[C@@H]1C
InChIInChI=1S/C11H22O4/c1-6(5-12)10-7(2)9(13)8(3)11(14-4)15-10/h6-13H,5H2,1-4H3/t6-,7-,8+,9+,10-,11+/m1/s1
InChIKeyMVRJMDWGTOSGHB-ZBJKAAEASA-N
MW218.29 g/mol
LogP0.62
Rot. Bonds3

About (2R,3R,4S,5S,6S)-2-[(2R)-1-hydroxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-ol

(2R,3R,4S,5S,6S)-2-[(2R)-1-hydroxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-ol (PubChem CID 46198059) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is (2R,3R,4S,5S,6S)-2-[(2R)-1-hydroxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-ol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6S)-2-[(2R)-1-hydroxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-ol
PubChem CID46198059
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name(2R,3R,4S,5S,6S)-2-[(2R)-1-hydroxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-ol
SMILESCO[C@H]1O[C@H]([C@H](C)CO)[C@H](C)[C@H](O)[C@@H]1C
InChIInChI=1S/C11H22O4/c1-6(5-12)10-7(2)9(13)8(3)11(14-4)15-10/h6-13H,5H2,1-4H3/t6-,7-,8+,9+,10-,11+/m1/s1
InChIKeyMVRJMDWGTOSGHB-ZBJKAAEASA-N
XLogP0.62
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6S)-2-[(2R)-1-hydroxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-ol?
The IUPAC name of (2R,3R,4S,5S,6S)-2-[(2R)-1-hydroxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-ol (CID 46198059) is (2R,3R,4S,5S,6S)-2-[(2R)-1-hydroxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-ol.
What is the SMILES notation for (2R,3R,4S,5S,6S)-2-[(2R)-1-hydroxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-ol?
The canonical SMILES for (2R,3R,4S,5S,6S)-2-[(2R)-1-hydroxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-ol is CO[C@H]1O[C@H]([C@H](C)CO)[C@H](C)[C@H](O)[C@@H]1C.
What is the InChIKey of (2R,3R,4S,5S,6S)-2-[(2R)-1-hydroxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-ol?
The InChIKey is MVRJMDWGTOSGHB-ZBJKAAEASA-N. The full InChI is InChI=1S/C11H22O4/c1-6(5-12)10-7(2)9(13)8(3)11(14-4)15-10/h6-13H,5H2,1-4H3/t6-,7-,8+,9+,10-,11+/m1/s1.
What are the key properties of (2R,3R,4S,5S,6S)-2-[(2R)-1-hydroxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-ol?
(2R,3R,4S,5S,6S)-2-[(2R)-1-hydroxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-ol has a molecular weight of 218.29 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6S)-2-[(2R)-1-hydroxypropan-2-yl]-6-methoxy-3,5-dimethyloxan-4-ol is sourced from PubChem (CID 46198059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).