(2S,3R,5S)-2-(chloromethyl)-5-methyloxolane-3,4-diol

C6H11ClO3 — CID 88976562

IUPAC(2S,3R,5S)-2-(chloromethyl)-5-methyloxolane-3,4-diol
SMILESC[C@@H]1O[C@H](CCl)[C@H](O)C1O
InChIInChI=1S/C6H11ClO3/c1-3-5(8)6(9)4(2-7)10-3/h3-6,8-9H,2H2,1H3/t3-,4+,5?,6-/m0/s1
InChIKeyCHFZDUIOJFDJQR-DDVDLICKSA-N
MW166.60 g/mol
LogP-0.27
Rot. Bonds1

About (2S,3R,5S)-2-(chloromethyl)-5-methyloxolane-3,4-diol

(2S,3R,5S)-2-(chloromethyl)-5-methyloxolane-3,4-diol (PubChem CID 88976562) has the molecular formula C6H11ClO3 and a molecular weight of 166.60 g/mol. Its IUPAC name is (2S,3R,5S)-2-(chloromethyl)-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,5S)-2-(chloromethyl)-5-methyloxolane-3,4-diol
PubChem CID88976562
Molecular FormulaC6H11ClO3
Molecular Weight166.60 g/mol
Exact Mass166.04
IUPAC Name(2S,3R,5S)-2-(chloromethyl)-5-methyloxolane-3,4-diol
SMILESC[C@@H]1O[C@H](CCl)[C@H](O)C1O
InChIInChI=1S/C6H11ClO3/c1-3-5(8)6(9)4(2-7)10-3/h3-6,8-9H,2H2,1H3/t3-,4+,5?,6-/m0/s1
InChIKeyCHFZDUIOJFDJQR-DDVDLICKSA-N
XLogP-0.27
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.60
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (2S,3R,5S)-2-(chloromethyl)-5-methyloxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634
(2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59996451
(2R,3S,4R,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59834182
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59116084
(4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 143617458
2-[(2R,3R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]acetyl chloride
CID 88976644

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-2-(chloromethyl)-5-methyloxolane-3,4-diol?
The IUPAC name of (2S,3R,5S)-2-(chloromethyl)-5-methyloxolane-3,4-diol (CID 88976562) is (2S,3R,5S)-2-(chloromethyl)-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2S,3R,5S)-2-(chloromethyl)-5-methyloxolane-3,4-diol?
The canonical SMILES for (2S,3R,5S)-2-(chloromethyl)-5-methyloxolane-3,4-diol is C[C@@H]1O[C@H](CCl)[C@H](O)C1O.
What is the InChIKey of (2S,3R,5S)-2-(chloromethyl)-5-methyloxolane-3,4-diol?
The InChIKey is CHFZDUIOJFDJQR-DDVDLICKSA-N. The full InChI is InChI=1S/C6H11ClO3/c1-3-5(8)6(9)4(2-7)10-3/h3-6,8-9H,2H2,1H3/t3-,4+,5?,6-/m0/s1.
What are the key properties of (2S,3R,5S)-2-(chloromethyl)-5-methyloxolane-3,4-diol?
(2S,3R,5S)-2-(chloromethyl)-5-methyloxolane-3,4-diol has a molecular weight of 166.60 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-2-(chloromethyl)-5-methyloxolane-3,4-diol is sourced from PubChem (CID 88976562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).