(3S,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-3,4-diol

C6H10Cl2O3 — CID 57315049

IUPAC(3S,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-3,4-diol
SMILESO[C@H]1[C@@H](Cl)[C@@H](CCl)OC[C@@H]1O
InChIInChI=1S/C6H10Cl2O3/c7-1-4-5(8)6(10)3(9)2-11-4/h3-6,9-10H,1-2H2/t3-,4+,5-,6+/m0/s1
InChIKeyYCHCUJUXEICVJP-BGPJRJDNSA-N
MW201.05 g/mol
LogP-0.05
Rot. Bonds1

About (3S,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-3,4-diol

(3S,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-3,4-diol (PubChem CID 57315049) has the molecular formula C6H10Cl2O3 and a molecular weight of 201.05 g/mol. Its IUPAC name is (3S,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(3S,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-3,4-diol
PubChem CID57315049
Molecular FormulaC6H10Cl2O3
Molecular Weight201.05 g/mol
Exact Mass200.00
IUPAC Name(3S,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-3,4-diol
SMILESO[C@H]1[C@@H](Cl)[C@@H](CCl)OC[C@@H]1O
InChIInChI=1S/C6H10Cl2O3/c7-1-4-5(8)6(10)3(9)2-11-4/h3-6,9-10H,1-2H2/t3-,4+,5-,6+/m0/s1
InChIKeyYCHCUJUXEICVJP-BGPJRJDNSA-N
XLogP-0.05
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.05
LogP ≤ 5-0.05
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,3R,4R,5S)-2-(chloromethyl)oxane-3,4,5-triol
CID 18632305
(3S,4R,5R,6R)-5-chloro-6-(hydroxymethyl)oxane-3,4-diol
CID 56626318
(2R,3S,4S)-4-chloro-2-(chloromethyl)oxolan-3-ol
CID 131093221
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(2S,3R,4R)-2-(fluoromethyl)oxolane-3,4-diol
CID 126601824
(2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol
CID 134180059
(2R,4R,5S)-2-ethyloxane-3,4,5-triol
CID 121360500
(2R,3R,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-2,3,4-triol
CID 131218972
(3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol
CID 166874001
(2R,3S,4S)-2-(2-hydroxyethyl)oxolane-3,4-diol
CID 131000812
ethane;2-(hydroxymethyl)oxolane-3,4-diol
CID 168985261

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-3,4-diol?
The IUPAC name of (3S,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-3,4-diol (CID 57315049) is (3S,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-3,4-diol.
What is the SMILES notation for (3S,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-3,4-diol?
The canonical SMILES for (3S,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-3,4-diol is O[C@H]1[C@@H](Cl)[C@@H](CCl)OC[C@@H]1O.
What is the InChIKey of (3S,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-3,4-diol?
The InChIKey is YCHCUJUXEICVJP-BGPJRJDNSA-N. The full InChI is InChI=1S/C6H10Cl2O3/c7-1-4-5(8)6(10)3(9)2-11-4/h3-6,9-10H,1-2H2/t3-,4+,5-,6+/m0/s1.
What are the key properties of (3S,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-3,4-diol?
(3S,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-3,4-diol has a molecular weight of 201.05 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-3,4-diol is sourced from PubChem (CID 57315049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).