(2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol

C5H9ClO3 — CID 67099694

IUPAC(2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@H](Cl)C[C@@H]1O
InChIInChI=1S/C5H9ClO3/c6-5-1-3(8)4(2-7)9-5/h3-5,7-8H,1-2H2/t3-,4+,5-/m0/s1
InChIKeyVZTAMBBQSMFVAF-LMVFSUKVSA-N
MW152.58 g/mol
LogP-0.31
Rot. Bonds1

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

(2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 67099694) has the molecular formula C5H9ClO3 and a molecular weight of 152.58 g/mol. Its IUPAC name is (2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol
PubChem CID67099694
Molecular FormulaC5H9ClO3
Molecular Weight152.58 g/mol
Exact Mass152.02
IUPAC Name(2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@H](Cl)C[C@@H]1O
InChIInChI=1S/C5H9ClO3/c6-5-1-3(8)4(2-7)9-5/h3-5,7-8H,1-2H2/t3-,4+,5-/m0/s1
InChIKeyVZTAMBBQSMFVAF-LMVFSUKVSA-N
XLogP-0.31
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
CID 91205052
(2R,3R,5R,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 67701993
(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 154684690
(3R,6S)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 155780384
(2R,3S,5S,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 27556866
[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hypochlorite
CID 69004119
CID 59914550
CID 59914550
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
CID 59996261
CID 59996261
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913
2-(hydroxymethyl)-5-sulfanyloxolan-3-ol
CID 123868889
CID 161264357
CID 161264357

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol (CID 67099694) is (2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol is OC[C@H]1O[C@H](Cl)C[C@@H]1O.
What is the InChIKey of (2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is VZTAMBBQSMFVAF-LMVFSUKVSA-N. The full InChI is InChI=1S/C5H9ClO3/c6-5-1-3(8)4(2-7)9-5/h3-5,7-8H,1-2H2/t3-,4+,5-/m0/s1.
What are the key properties of (2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 152.58 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 67099694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).