(3R)-3-[(2R,3S,4R)-3-hydroxy-2-(methoxymethyl)oxan-4-yl]oxybutan-2-one

C11H20O5 — CID 144998853

IUPAC(3R)-3-[(2R,3S,4R)-3-hydroxy-2-(methoxymethyl)oxan-4-yl]oxybutan-2-one
SMILESCOC[C@H]1OCC[C@@H](O[C@H](C)C(C)=O)[C@@H]1O
InChIInChI=1S/C11H20O5/c1-7(12)8(2)16-9-4-5-15-10(6-14-3)11(9)13/h8-11,13H,4-6H2,1-3H3/t8-,9-,10-,11+/m1/s1
InChIKeyWIXSAPYZDKURDY-DBIOUOCHSA-N
MW232.28 g/mol
LogP0.15
Rot. Bonds5

About (3R)-3-[(2R,3S,4R)-3-hydroxy-2-(methoxymethyl)oxan-4-yl]oxybutan-2-one

(3R)-3-[(2R,3S,4R)-3-hydroxy-2-(methoxymethyl)oxan-4-yl]oxybutan-2-one (PubChem CID 144998853) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is (3R)-3-[(2R,3S,4R)-3-hydroxy-2-(methoxymethyl)oxan-4-yl]oxybutan-2-one.

Molecular Properties

Compound Name(3R)-3-[(2R,3S,4R)-3-hydroxy-2-(methoxymethyl)oxan-4-yl]oxybutan-2-one
PubChem CID144998853
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name(3R)-3-[(2R,3S,4R)-3-hydroxy-2-(methoxymethyl)oxan-4-yl]oxybutan-2-one
SMILESCOC[C@H]1OCC[C@@H](O[C@H](C)C(C)=O)[C@@H]1O
InChIInChI=1S/C11H20O5/c1-7(12)8(2)16-9-4-5-15-10(6-14-3)11(9)13/h8-11,13H,4-6H2,1-3H3/t8-,9-,10-,11+/m1/s1
InChIKeyWIXSAPYZDKURDY-DBIOUOCHSA-N
XLogP0.15
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2R,3S,4R)-3-hydroxy-2-(methoxymethyl)oxan-4-yl]oxybutan-2-one?
The IUPAC name of (3R)-3-[(2R,3S,4R)-3-hydroxy-2-(methoxymethyl)oxan-4-yl]oxybutan-2-one (CID 144998853) is (3R)-3-[(2R,3S,4R)-3-hydroxy-2-(methoxymethyl)oxan-4-yl]oxybutan-2-one.
What is the SMILES notation for (3R)-3-[(2R,3S,4R)-3-hydroxy-2-(methoxymethyl)oxan-4-yl]oxybutan-2-one?
The canonical SMILES for (3R)-3-[(2R,3S,4R)-3-hydroxy-2-(methoxymethyl)oxan-4-yl]oxybutan-2-one is COC[C@H]1OCC[C@@H](O[C@H](C)C(C)=O)[C@@H]1O.
What is the InChIKey of (3R)-3-[(2R,3S,4R)-3-hydroxy-2-(methoxymethyl)oxan-4-yl]oxybutan-2-one?
The InChIKey is WIXSAPYZDKURDY-DBIOUOCHSA-N. The full InChI is InChI=1S/C11H20O5/c1-7(12)8(2)16-9-4-5-15-10(6-14-3)11(9)13/h8-11,13H,4-6H2,1-3H3/t8-,9-,10-,11+/m1/s1.
What are the key properties of (3R)-3-[(2R,3S,4R)-3-hydroxy-2-(methoxymethyl)oxan-4-yl]oxybutan-2-one?
(3R)-3-[(2R,3S,4R)-3-hydroxy-2-(methoxymethyl)oxan-4-yl]oxybutan-2-one has a molecular weight of 232.28 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2R,3S,4R)-3-hydroxy-2-(methoxymethyl)oxan-4-yl]oxybutan-2-one is sourced from PubChem (CID 144998853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).