(2R,3R,4S,5R,6R)-2-(3-ethylsulfanylpropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C11H22O6S — CID 23583723

IUPAC(2R,3R,4S,5R,6R)-2-(3-ethylsulfanylpropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCSCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H22O6S/c1-2-18-5-3-4-16-11-10(15)9(14)8(13)7(6-12)17-11/h7-15H,2-6H2,1H3/t7-,8+,9+,10-,11-/m1/s1
InChIKeyKPULUCGNPNXDMV-ZKKRXERASA-N
MW282.36 g/mol
LogP-1.05
Rot. Bonds7

About (2R,3R,4S,5R,6R)-2-(3-ethylsulfanylpropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2-(3-ethylsulfanylpropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 23583723) has the molecular formula C11H22O6S and a molecular weight of 282.36 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-(3-ethylsulfanylpropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-(3-ethylsulfanylpropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID23583723
Molecular FormulaC11H22O6S
Molecular Weight282.36 g/mol
Exact Mass282.11
IUPAC Name(2R,3R,4S,5R,6R)-2-(3-ethylsulfanylpropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCSCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H22O6S/c1-2-18-5-3-4-16-11-10(15)9(14)8(13)7(6-12)17-11/h7-15H,2-6H2,1H3/t7-,8+,9+,10-,11-/m1/s1
InChIKeyKPULUCGNPNXDMV-ZKKRXERASA-N
XLogP-1.05
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5R,6R)-2-(3-ethylsulfanylpropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-(3-ethylsulfanylpropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-(3-ethylsulfanylpropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol (CID 23583723) is (2R,3R,4S,5R,6R)-2-(3-ethylsulfanylpropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-(3-ethylsulfanylpropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-(3-ethylsulfanylpropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol is CCSCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-(3-ethylsulfanylpropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is KPULUCGNPNXDMV-ZKKRXERASA-N. The full InChI is InChI=1S/C11H22O6S/c1-2-18-5-3-4-16-11-10(15)9(14)8(13)7(6-12)17-11/h7-15H,2-6H2,1H3/t7-,8+,9+,10-,11-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-(3-ethylsulfanylpropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5R,6R)-2-(3-ethylsulfanylpropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 282.36 g/mol, XLogP of -1.05, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-(3-ethylsulfanylpropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 23583723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).