(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol

C6H12O3 — CID 59795765

IUPAC(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
SMILESC[C@@H]1C[C@@H](O)[C@H](CO)O1
InChIInChI=1S/C6H12O3/c1-4-2-5(8)6(3-7)9-4/h4-8H,2-3H2,1H3/t4-,5-,6+/m1/s1
InChIKeyVYMGPBXXQAUPSO-PBXRRBTRSA-N
MW132.16 g/mol
LogP-0.48
Rot. Bonds1

About (2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol

(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol (PubChem CID 59795765) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
PubChem CID59795765
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
SMILESC[C@@H]1C[C@@H](O)[C@H](CO)O1
InChIInChI=1S/C6H12O3/c1-4-2-5(8)6(3-7)9-4/h4-8H,2-3H2,1H3/t4-,5-,6+/m1/s1
InChIKeyVYMGPBXXQAUPSO-PBXRRBTRSA-N
XLogP-0.48
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol?
The IUPAC name of (2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol (CID 59795765) is (2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol.
What is the SMILES notation for (2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol?
The canonical SMILES for (2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol is C[C@@H]1C[C@@H](O)[C@H](CO)O1.
What is the InChIKey of (2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol?
The InChIKey is VYMGPBXXQAUPSO-PBXRRBTRSA-N. The full InChI is InChI=1S/C6H12O3/c1-4-2-5(8)6(3-7)9-4/h4-8H,2-3H2,1H3/t4-,5-,6+/m1/s1.
What are the key properties of (2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol?
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol has a molecular weight of 132.16 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol is sourced from PubChem (CID 59795765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).