(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol

C14H28O6 — CID 66988485

IUPAC(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol
SMILESCCCCCCCCO[C@H]1O[C@H]([C@@H](O)CO)[C@H](O)[C@H]1O
InChIInChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-12(18)11(17)13(20-14)10(16)9-15/h10-18H,2-9H2,1H3/t10-,11+,12+,13+,14-/m0/s1
InChIKeyVZLNXIZRQPJOEU-MRTXSQPYSA-N
MW292.37 g/mol
LogP0.16
Rot. Bonds10

About (2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol

(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol (PubChem CID 66988485) has the molecular formula C14H28O6 and a molecular weight of 292.37 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol
PubChem CID66988485
Molecular FormulaC14H28O6
Molecular Weight292.37 g/mol
Exact Mass292.19
IUPAC Name(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol
SMILESCCCCCCCCO[C@H]1O[C@H]([C@@H](O)CO)[C@H](O)[C@H]1O
InChIInChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-12(18)11(17)13(20-14)10(16)9-15/h10-18H,2-9H2,1H3/t10-,11+,12+,13+,14-/m0/s1
InChIKeyVZLNXIZRQPJOEU-MRTXSQPYSA-N
XLogP0.16
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol 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)-2-[(1R)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol
CID 66988484
(2R,3R,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-dodecoxyoxolane-3,4-diol
CID 11382473
sodium;(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-tetradecoxyoxolane-3,4-diol;hydride
CID 173338676
(2S,3R,4R,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(2S)-2-[(2S,3R,4R,5R)-3,4-dihydroxy-5-octoxyoxolan-2-yl]-2-hydroxyethoxy]oxolane-3,4-diol
CID 10004100
(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-[(1R)-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-octoxyoxolan-2-yl]-2-hydroxyethoxy]oxolane-3,4-diol
CID 102407270
(2R,3R,4R,5R)-2-[(1S)-2-fluoro-1-hydroxyethyl]-5-octoxyoxolane-3,4-diol
CID 11687942
(2S)-2-[(2R,3R,4R,5S)-5-decoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid
CID 57306370
(2S)-2-[(2S,3R,4R,5R)-5-dodecoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid
CID 10882980
(2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol
CID 70171890
(3R,4R,5R)-2-(1,2-dihydroxyethyl)-5-[1-[(3S,4R,5R)-3,4-dimethoxy-5-octoxyoxolan-2-yl]-2-methoxyethoxy]oxolane-3,4-diol
CID 509038
sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride
CID 173327837
(3S,4R,5R)-2-(2-deuterio-2-hydroxyethoxy)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 141346275

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol (CID 66988485) is (2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol is CCCCCCCCO[C@H]1O[C@H]([C@@H](O)CO)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol?
The InChIKey is VZLNXIZRQPJOEU-MRTXSQPYSA-N. The full InChI is InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-12(18)11(17)13(20-14)10(16)9-15/h10-18H,2-9H2,1H3/t10-,11+,12+,13+,14-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol?
(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol has a molecular weight of 292.37 g/mol, XLogP of 0.16, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol is sourced from PubChem (CID 66988485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).