(4S,5S)-4-hydroxy-5-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxolan-2-one

C11H20O4 — CID 16758533

IUPAC(4S,5S)-4-hydroxy-5-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxolan-2-one
SMILESC[C@@H]([C@H]1[C@H](CC(=O)O1)O)[C@H](C(C)C)OC
InChIInChI=1S/C11H20O4/c1-6(2)10(14-4)7(3)11-8(12)5-9(13)15-11/h6-8,10-12H,5H2,1-4H3/t7-,8+,10+,11+/m1/s1
InChIKeyPUPQCYXVESPHOD-IFFSRLJSSA-N
MW216.27 g/mol
LogP1.30
Rot. Bonds4

About (4S,5S)-4-hydroxy-5-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxolan-2-one

(4S,5S)-4-hydroxy-5-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxolan-2-one (PubChem CID 16758533) has the molecular formula C11H20O4 and a molecular weight of 216.27 g/mol. Its IUPAC name is (4S,5S)-4-hydroxy-5-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-4-hydroxy-5-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxolan-2-one
PubChem CID16758533
Molecular FormulaC11H20O4
Molecular Weight216.27 g/mol
Exact Mass216.14
IUPAC Name(4S,5S)-4-hydroxy-5-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxolan-2-one
SMILESC[C@@H]([C@H]1[C@H](CC(=O)O1)O)[C@H](C(C)C)OC
InChIInChI=1S/C11H20O4/c1-6(2)10(14-4)7(3)11-8(12)5-9(13)15-11/h6-8,10-12H,5H2,1-4H3/t7-,8+,10+,11+/m1/s1
InChIKeyPUPQCYXVESPHOD-IFFSRLJSSA-N
XLogP1.30
TPSA55.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity227

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-hydroxy-5-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxolan-2-one?
The IUPAC name of (4S,5S)-4-hydroxy-5-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxolan-2-one (CID 16758533) is (4S,5S)-4-hydroxy-5-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxolan-2-one.
What is the SMILES notation for (4S,5S)-4-hydroxy-5-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxolan-2-one?
The canonical SMILES for (4S,5S)-4-hydroxy-5-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxolan-2-one is C[C@@H]([C@H]1[C@H](CC(=O)O1)O)[C@H](C(C)C)OC.
What is the InChIKey of (4S,5S)-4-hydroxy-5-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxolan-2-one?
The InChIKey is PUPQCYXVESPHOD-IFFSRLJSSA-N. The full InChI is InChI=1S/C11H20O4/c1-6(2)10(14-4)7(3)11-8(12)5-9(13)15-11/h6-8,10-12H,5H2,1-4H3/t7-,8+,10+,11+/m1/s1.
What are the key properties of (4S,5S)-4-hydroxy-5-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxolan-2-one?
(4S,5S)-4-hydroxy-5-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxolan-2-one has a molecular weight of 216.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-hydroxy-5-[(2R,3S)-3-methoxy-4-methylpentan-2-yl]oxolan-2-one is sourced from PubChem (CID 16758533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).