[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hypochlorite

C5H9ClO4 — CID 69004119

IUPAC[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hypochlorite
SMILESOC[C@@H]1OC(OCl)C[C@H]1O
InChIInChI=1S/C5H9ClO4/c6-10-5-1-3(8)4(2-7)9-5/h3-5,7-8H,1-2H2/t3-,4+,5?/m1/s1
InChIKeyWZUXPMCLRUQHPK-OVEKKEMJSA-N
MW168.58 g/mol
LogP-0.38
Rot. Bonds2

About [(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hypochlorite

[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hypochlorite (PubChem CID 69004119) has the molecular formula C5H9ClO4 and a molecular weight of 168.58 g/mol. Its IUPAC name is [(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hypochlorite.

Molecular Properties

Compound Name[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hypochlorite
PubChem CID69004119
Molecular FormulaC5H9ClO4
Molecular Weight168.58 g/mol
Exact Mass168.02
IUPAC Name[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hypochlorite
SMILESOC[C@@H]1OC(OCl)C[C@H]1O
InChIInChI=1S/C5H9ClO4/c6-10-5-1-3(8)4(2-7)9-5/h3-5,7-8H,1-2H2/t3-,4+,5?/m1/s1
InChIKeyWZUXPMCLRUQHPK-OVEKKEMJSA-N
XLogP-0.38
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hypochlorite?
The IUPAC name of [(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hypochlorite (CID 69004119) is [(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hypochlorite.
What is the SMILES notation for [(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hypochlorite?
The canonical SMILES for [(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hypochlorite is OC[C@@H]1OC(OCl)C[C@H]1O.
What is the InChIKey of [(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hypochlorite?
The InChIKey is WZUXPMCLRUQHPK-OVEKKEMJSA-N. The full InChI is InChI=1S/C5H9ClO4/c6-10-5-1-3(8)4(2-7)9-5/h3-5,7-8H,1-2H2/t3-,4+,5?/m1/s1.
What are the key properties of [(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hypochlorite?
[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hypochlorite has a molecular weight of 168.58 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hypochlorite is sourced from PubChem (CID 69004119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).