(3S,4R,5S,6S)-6-(chloromethyl)oxane-2,3,4,5-tetrol

C6H11ClO5 — CID 12790194

IUPAC(3S,4R,5S,6S)-6-(chloromethyl)oxane-2,3,4,5-tetrol
SMILESOC1O[C@H](CCl)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11ClO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3-,4-,5+,6?/m1/s1
InChIKeyQMWDIHPSUCUMFU-RSVSWTKNSA-N
MW198.60 g/mol
LogP-1.97
Rot. Bonds1

About (3S,4R,5S,6S)-6-(chloromethyl)oxane-2,3,4,5-tetrol

(3S,4R,5S,6S)-6-(chloromethyl)oxane-2,3,4,5-tetrol (PubChem CID 12790194) has the molecular formula C6H11ClO5 and a molecular weight of 198.60 g/mol. Its IUPAC name is (3S,4R,5S,6S)-6-(chloromethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3S,4R,5S,6S)-6-(chloromethyl)oxane-2,3,4,5-tetrol
PubChem CID12790194
Molecular FormulaC6H11ClO5
Molecular Weight198.60 g/mol
Exact Mass198.03
IUPAC Name(3S,4R,5S,6S)-6-(chloromethyl)oxane-2,3,4,5-tetrol
SMILESOC1O[C@H](CCl)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11ClO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3-,4-,5+,6?/m1/s1
InChIKeyQMWDIHPSUCUMFU-RSVSWTKNSA-N
XLogP-1.97
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.60
LogP ≤ 5-1.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S,4R,5S,6S)-6-(chloromethyl)oxane-2,3,4,5-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4R,5R,6R)-5-chloro-6-(chloromethyl)oxane-2,3,4-triol
CID 131218972
(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
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
3,6-bis(chloromethyl)-1,4-dioxane-2,5-diol
CID 12659615
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrate
CID 174454865
azane;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70501516
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrobromide
CID 175197027
(3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride
CID 67086676

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S,6S)-6-(chloromethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (3S,4R,5S,6S)-6-(chloromethyl)oxane-2,3,4,5-tetrol (CID 12790194) is (3S,4R,5S,6S)-6-(chloromethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (3S,4R,5S,6S)-6-(chloromethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (3S,4R,5S,6S)-6-(chloromethyl)oxane-2,3,4,5-tetrol is OC1O[C@H](CCl)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R,5S,6S)-6-(chloromethyl)oxane-2,3,4,5-tetrol?
The InChIKey is QMWDIHPSUCUMFU-RSVSWTKNSA-N. The full InChI is InChI=1S/C6H11ClO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3-,4-,5+,6?/m1/s1.
What are the key properties of (3S,4R,5S,6S)-6-(chloromethyl)oxane-2,3,4,5-tetrol?
(3S,4R,5S,6S)-6-(chloromethyl)oxane-2,3,4,5-tetrol has a molecular weight of 198.60 g/mol, XLogP of -1.97, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S,6S)-6-(chloromethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 12790194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).