(2R,3S,4R,5R)-2-chloro-5-(hydroxymethyl)oxolane-3,4-diol

C5H9ClO4 — CID 56990927

IUPAC(2R,3S,4R,5R)-2-chloro-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@H](Cl)[C@@H](O)[C@H]1O
InChIInChI=1S/C5H9ClO4/c6-5-4(9)3(8)2(1-7)10-5/h2-5,7-9H,1H2/t2-,3+,4+,5+/m1/s1
InChIKeyZKHGIPARYPCVPA-STGXQOJASA-N
MW168.58 g/mol
LogP-1.34
Rot. Bonds1

About (2R,3S,4R,5R)-2-chloro-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3S,4R,5R)-2-chloro-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 56990927) has the molecular formula C5H9ClO4 and a molecular weight of 168.58 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-chloro-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-chloro-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID56990927
Molecular FormulaC5H9ClO4
Molecular Weight168.58 g/mol
Exact Mass168.02
IUPAC Name(2R,3S,4R,5R)-2-chloro-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@H](Cl)[C@@H](O)[C@H]1O
InChIInChI=1S/C5H9ClO4/c6-5-4(9)3(8)2(1-7)10-5/h2-5,7-9H,1H2/t2-,3+,4+,5+/m1/s1
InChIKeyZKHGIPARYPCVPA-STGXQOJASA-N
XLogP-1.34
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R,5R)-2-chloro-5-(hydroxymethyl)oxolane-3,4-diol
CID 70382401
(2S,3S,5R)-2-chloro-6-(hydroxymethyl)oxane-3,4,5-triol
CID 122468078
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(2R,3R,4S,5R,6R)-3-chloro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 15173008
(3R,4S,5S,6R)-3-chloro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 11694096
(3R,4S,5R)-3-chloro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 59658655
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-chloro-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-2-chloro-5-(hydroxymethyl)oxolane-3,4-diol (CID 56990927) is (2R,3S,4R,5R)-2-chloro-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-2-chloro-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-2-chloro-5-(hydroxymethyl)oxolane-3,4-diol is OC[C@H]1O[C@H](Cl)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-chloro-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is ZKHGIPARYPCVPA-STGXQOJASA-N. The full InChI is InChI=1S/C5H9ClO4/c6-5-4(9)3(8)2(1-7)10-5/h2-5,7-9H,1H2/t2-,3+,4+,5+/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-chloro-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3S,4R,5R)-2-chloro-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 168.58 g/mol, XLogP of -1.34, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-chloro-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 56990927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).