(2R,3R,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-2,3,4-triol

C6H10Cl2O4 — CID 131218972

IUPAC(2R,3R,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-2,3,4-triol
SMILESO[C@@H]1[C@@H](O)[C@H](O)O[C@H](CCl)[C@@H]1Cl
InChIInChI=1S/C6H10Cl2O4/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,9-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
InChIKeyZIBMGOYQTGGDCE-FPRJBGLDSA-N
MW217.05 g/mol
LogP-0.73
Rot. Bonds1

About (2R,3R,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-2,3,4-triol

(2R,3R,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-2,3,4-triol (PubChem CID 131218972) has the molecular formula C6H10Cl2O4 and a molecular weight of 217.05 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-2,3,4-triol
PubChem CID131218972
Molecular FormulaC6H10Cl2O4
Molecular Weight217.05 g/mol
Exact Mass216.00
IUPAC Name(2R,3R,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-2,3,4-triol
SMILESO[C@@H]1[C@@H](O)[C@H](O)O[C@H](CCl)[C@@H]1Cl
InChIInChI=1S/C6H10Cl2O4/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,9-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
InChIKeyZIBMGOYQTGGDCE-FPRJBGLDSA-N
XLogP-0.73
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.05
LogP ≤ 5-0.73
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

(3S,4R,5S,6S)-6-(chloromethyl)oxane-2,3,4,5-tetrol
CID 12790194
3,6-bis(chloromethyl)-1,4-dioxane-2,5-diol
CID 12659615
(3R,4S,5S,6R)-3-chloro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 11694096
(2R,3R,4S,5R,6R)-3-chloro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 15173008
(3R,4S,5R)-3-chloro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 59658655
(4R,5R)-4-chloro-6-(hydroxymethyl)oxane-2,3,5-triol
CID 172641831
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(3S,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-3,4-diol
CID 57315049
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-2,3,4-triol?
The IUPAC name of (2R,3R,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-2,3,4-triol (CID 131218972) is (2R,3R,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-2,3,4-triol.
What is the SMILES notation for (2R,3R,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-2,3,4-triol?
The canonical SMILES for (2R,3R,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-2,3,4-triol is O[C@@H]1[C@@H](O)[C@H](O)O[C@H](CCl)[C@@H]1Cl.
What is the InChIKey of (2R,3R,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-2,3,4-triol?
The InChIKey is ZIBMGOYQTGGDCE-FPRJBGLDSA-N. The full InChI is InChI=1S/C6H10Cl2O4/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,9-11H,1H2/t2-,3+,4+,5-,6-/m1/s1.
What are the key properties of (2R,3R,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-2,3,4-triol?
(2R,3R,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-2,3,4-triol has a molecular weight of 217.05 g/mol, XLogP of -0.73, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-2,3,4-triol is sourced from PubChem (CID 131218972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).