2-[(2R,3R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]acetyl chloride

C7H11ClO4 — CID 88976644

IUPAC2-[(2R,3R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]acetyl chloride
SMILESC[C@@H]1O[C@H](CC(=O)Cl)[C@H](O)C1O
InChIInChI=1S/C7H11ClO4/c1-3-6(10)7(11)4(12-3)2-5(8)9/h3-4,6-7,10-11H,2H2,1H3/t3-,4+,6?,7-/m0/s1
InChIKeyVXDVZBOSFMVIDH-UNYIURARSA-N
MW194.61 g/mol
LogP-0.35
Rot. Bonds2

About 2-[(2R,3R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]acetyl chloride

2-[(2R,3R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]acetyl chloride (PubChem CID 88976644) has the molecular formula C7H11ClO4 and a molecular weight of 194.61 g/mol. Its IUPAC name is 2-[(2R,3R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]acetyl chloride.

Molecular Properties

Compound Name2-[(2R,3R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]acetyl chloride
PubChem CID88976644
Molecular FormulaC7H11ClO4
Molecular Weight194.61 g/mol
Exact Mass194.03
IUPAC Name2-[(2R,3R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]acetyl chloride
SMILESC[C@@H]1O[C@H](CC(=O)Cl)[C@H](O)C1O
InChIInChI=1S/C7H11ClO4/c1-3-6(10)7(11)4(12-3)2-5(8)9/h3-4,6-7,10-11H,2H2,1H3/t3-,4+,6?,7-/m0/s1
InChIKeyVXDVZBOSFMVIDH-UNYIURARSA-N
XLogP-0.35
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.61
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2R,3R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]acetyl chloride 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

2-[(3S,4R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetic acid
CID 67963326
(2S,3R,5S)-2-(chloromethyl)-5-methyloxolane-3,4-diol
CID 88976562
N,N-dimethyl-2-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetamide
CID 139440455
2-(3,4,5-trihydroxy-6-methyloxan-2-yl)acetaldehyde
CID 88533979
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(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
(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
(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

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]acetyl chloride?
The IUPAC name of 2-[(2R,3R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]acetyl chloride (CID 88976644) is 2-[(2R,3R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]acetyl chloride.
What is the SMILES notation for 2-[(2R,3R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]acetyl chloride?
The canonical SMILES for 2-[(2R,3R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]acetyl chloride is C[C@@H]1O[C@H](CC(=O)Cl)[C@H](O)C1O.
What is the InChIKey of 2-[(2R,3R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]acetyl chloride?
The InChIKey is VXDVZBOSFMVIDH-UNYIURARSA-N. The full InChI is InChI=1S/C7H11ClO4/c1-3-6(10)7(11)4(12-3)2-5(8)9/h3-4,6-7,10-11H,2H2,1H3/t3-,4+,6?,7-/m0/s1.
What are the key properties of 2-[(2R,3R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]acetyl chloride?
2-[(2R,3R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]acetyl chloride has a molecular weight of 194.61 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]acetyl chloride is sourced from PubChem (CID 88976644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).