(4R,6S)-6-(chloromethyl)-4-hydroxyoxane-2-carbaldehyde

C7H11ClO3 — CID 175073383

IUPAC(4R,6S)-6-(chloromethyl)-4-hydroxyoxane-2-carbaldehyde
SMILESO=CC1C[C@@H](O)C[C@@H](CCl)O1
InChIInChI=1S/C7H11ClO3/c8-3-6-1-5(10)2-7(4-9)11-6/h4-7,10H,1-3H2/t5-,6-,7?/m0/s1
InChIKeyZVGMFMRIBLHJTQ-WABBHOIFSA-N
MW178.61 g/mol
LogP0.33
Rot. Bonds2

About (4R,6S)-6-(chloromethyl)-4-hydroxyoxane-2-carbaldehyde

(4R,6S)-6-(chloromethyl)-4-hydroxyoxane-2-carbaldehyde (PubChem CID 175073383) has the molecular formula C7H11ClO3 and a molecular weight of 178.61 g/mol. Its IUPAC name is (4R,6S)-6-(chloromethyl)-4-hydroxyoxane-2-carbaldehyde.

Molecular Properties

Compound Name(4R,6S)-6-(chloromethyl)-4-hydroxyoxane-2-carbaldehyde
PubChem CID175073383
Molecular FormulaC7H11ClO3
Molecular Weight178.61 g/mol
Exact Mass178.04
IUPAC Name(4R,6S)-6-(chloromethyl)-4-hydroxyoxane-2-carbaldehyde
SMILESO=CC1C[C@@H](O)C[C@@H](CCl)O1
InChIInChI=1S/C7H11ClO3/c8-3-6-1-5(10)2-7(4-9)11-6/h4-7,10H,1-3H2/t5-,6-,7?/m0/s1
InChIKeyZVGMFMRIBLHJTQ-WABBHOIFSA-N
XLogP0.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.61
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6-(chloromethyl)-4-hydroxyoxane-2-carbaldehyde?
The IUPAC name of (4R,6S)-6-(chloromethyl)-4-hydroxyoxane-2-carbaldehyde (CID 175073383) is (4R,6S)-6-(chloromethyl)-4-hydroxyoxane-2-carbaldehyde.
What is the SMILES notation for (4R,6S)-6-(chloromethyl)-4-hydroxyoxane-2-carbaldehyde?
The canonical SMILES for (4R,6S)-6-(chloromethyl)-4-hydroxyoxane-2-carbaldehyde is O=CC1C[C@@H](O)C[C@@H](CCl)O1.
What is the InChIKey of (4R,6S)-6-(chloromethyl)-4-hydroxyoxane-2-carbaldehyde?
The InChIKey is ZVGMFMRIBLHJTQ-WABBHOIFSA-N. The full InChI is InChI=1S/C7H11ClO3/c8-3-6-1-5(10)2-7(4-9)11-6/h4-7,10H,1-3H2/t5-,6-,7?/m0/s1.
What are the key properties of (4R,6S)-6-(chloromethyl)-4-hydroxyoxane-2-carbaldehyde?
(4R,6S)-6-(chloromethyl)-4-hydroxyoxane-2-carbaldehyde has a molecular weight of 178.61 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-(chloromethyl)-4-hydroxyoxane-2-carbaldehyde is sourced from PubChem (CID 175073383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).