(6R)-6-[(2R,4R)-2,4-dihydroxypentyl]oxan-2-one

C10H18O4 — CID 132501453

IUPAC(6R)-6-[(2R,4R)-2,4-dihydroxypentyl]oxan-2-one
SMILESC[C@@H](O)C[C@@H](O)C[C@H]1CCCC(=O)O1
InChIInChI=1S/C10H18O4/c1-7(11)5-8(12)6-9-3-2-4-10(13)14-9/h7-9,11-12H,2-6H2,1H3/t7-,8-,9-/m1/s1
InChIKeyMRFXFWDDKXBNOQ-IWSPIJDZSA-N
MW202.25 g/mol
LogP0.60
Rot. Bonds4

About (6R)-6-[(2R,4R)-2,4-dihydroxypentyl]oxan-2-one

(6R)-6-[(2R,4R)-2,4-dihydroxypentyl]oxan-2-one (PubChem CID 132501453) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (6R)-6-[(2R,4R)-2,4-dihydroxypentyl]oxan-2-one.

Molecular Properties

Compound Name(6R)-6-[(2R,4R)-2,4-dihydroxypentyl]oxan-2-one
PubChem CID132501453
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(6R)-6-[(2R,4R)-2,4-dihydroxypentyl]oxan-2-one
SMILESC[C@@H](O)C[C@@H](O)C[C@H]1CCCC(=O)O1
InChIInChI=1S/C10H18O4/c1-7(11)5-8(12)6-9-3-2-4-10(13)14-9/h7-9,11-12H,2-6H2,1H3/t7-,8-,9-/m1/s1
InChIKeyMRFXFWDDKXBNOQ-IWSPIJDZSA-N
XLogP0.60
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(2R,4R)-2,4-dihydroxypentyl]oxan-2-one?
The IUPAC name of (6R)-6-[(2R,4R)-2,4-dihydroxypentyl]oxan-2-one (CID 132501453) is (6R)-6-[(2R,4R)-2,4-dihydroxypentyl]oxan-2-one.
What is the SMILES notation for (6R)-6-[(2R,4R)-2,4-dihydroxypentyl]oxan-2-one?
The canonical SMILES for (6R)-6-[(2R,4R)-2,4-dihydroxypentyl]oxan-2-one is C[C@@H](O)C[C@@H](O)C[C@H]1CCCC(=O)O1.
What is the InChIKey of (6R)-6-[(2R,4R)-2,4-dihydroxypentyl]oxan-2-one?
The InChIKey is MRFXFWDDKXBNOQ-IWSPIJDZSA-N. The full InChI is InChI=1S/C10H18O4/c1-7(11)5-8(12)6-9-3-2-4-10(13)14-9/h7-9,11-12H,2-6H2,1H3/t7-,8-,9-/m1/s1.
What are the key properties of (6R)-6-[(2R,4R)-2,4-dihydroxypentyl]oxan-2-one?
(6R)-6-[(2R,4R)-2,4-dihydroxypentyl]oxan-2-one has a molecular weight of 202.25 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(2R,4R)-2,4-dihydroxypentyl]oxan-2-one is sourced from PubChem (CID 132501453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).