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

C6H11ClO4 — CID 56626318

IUPAC(3S,4R,5R,6R)-5-chloro-6-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1OC[C@H](O)[C@@H](O)[C@H]1Cl
InChIInChI=1S/C6H11ClO4/c7-5-4(1-8)11-2-3(9)6(5)10/h3-6,8-10H,1-2H2/t3-,4+,5-,6+/m0/s1
InChIKeyZXOQXGXTNOJOJC-BGPJRJDNSA-N
MW182.60 g/mol
LogP-1.29
Rot. Bonds1

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

(3S,4R,5R,6R)-5-chloro-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 56626318) has the molecular formula C6H11ClO4 and a molecular weight of 182.60 g/mol. Its IUPAC name is (3S,4R,5R,6R)-5-chloro-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(3S,4R,5R,6R)-5-chloro-6-(hydroxymethyl)oxane-3,4-diol
PubChem CID56626318
Molecular FormulaC6H11ClO4
Molecular Weight182.60 g/mol
Exact Mass182.03
IUPAC Name(3S,4R,5R,6R)-5-chloro-6-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1OC[C@H](O)[C@@H](O)[C@H]1Cl
InChIInChI=1S/C6H11ClO4/c7-5-4(1-8)11-2-3(9)6(5)10/h3-6,8-10H,1-2H2/t3-,4+,5-,6+/m0/s1
InChIKeyZXOQXGXTNOJOJC-BGPJRJDNSA-N
XLogP-1.29
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.60
LogP ≤ 5-1.29
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,5R,6R)-5-chloro-6-(chloromethyl)oxane-3,4-diol
CID 57315049
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
ethane;2-(hydroxymethyl)oxolane-3,4-diol
CID 168985261
(3S,4S,5S,6S)-5,6-bis(hydroxymethyl)oxane-3,4-diol
CID 166946041
6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol)
CID 171703405
(2S,3R,4R,5S)-2-(chloromethyl)oxane-3,4,5-triol
CID 18632305
(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid
CID 173247961
(3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol
CID 166874001
(2R,3S,4S)-2-(2-hydroxyethyl)oxolane-3,4-diol
CID 131000812
(2R,5S)-2-[(3S)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 147761063
(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 18645218

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R,6R)-5-chloro-6-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (3S,4R,5R,6R)-5-chloro-6-(hydroxymethyl)oxane-3,4-diol (CID 56626318) is (3S,4R,5R,6R)-5-chloro-6-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (3S,4R,5R,6R)-5-chloro-6-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (3S,4R,5R,6R)-5-chloro-6-(hydroxymethyl)oxane-3,4-diol is OC[C@H]1OC[C@H](O)[C@@H](O)[C@H]1Cl.
What is the InChIKey of (3S,4R,5R,6R)-5-chloro-6-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is ZXOQXGXTNOJOJC-BGPJRJDNSA-N. The full InChI is InChI=1S/C6H11ClO4/c7-5-4(1-8)11-2-3(9)6(5)10/h3-6,8-10H,1-2H2/t3-,4+,5-,6+/m0/s1.
What are the key properties of (3S,4R,5R,6R)-5-chloro-6-(hydroxymethyl)oxane-3,4-diol?
(3S,4R,5R,6R)-5-chloro-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 182.60 g/mol, XLogP of -1.29, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R,6R)-5-chloro-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 56626318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).