sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride

C8H17NaO6 — CID 173327837

IUPACsodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride
SMILESCCO[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O.[H-].[Na+]
InChIInChI=1S/C8H16O6.Na.H/c1-2-13-8-6(12)5(11)7(14-8)4(10)3-9;;/h4-12H,2-3H2,1H3;;/q;+1;-1/t4-,5-,6-,7+,8-;;/m1../s1
InChIKeyJQEPFGSNJHVRIB-WTUBXSMSSA-N
MW232.21 g/mol
LogP-5.06
Rot. Bonds4

About sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride

sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride (PubChem CID 173327837) has the molecular formula C8H17NaO6 and a molecular weight of 232.21 g/mol. Its IUPAC name is sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride.

Molecular Properties

Compound Namesodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride
PubChem CID173327837
Molecular FormulaC8H17NaO6
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Namesodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride
SMILESCCO[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O.[H-].[Na+]
InChIInChI=1S/C8H16O6.Na.H/c1-2-13-8-6(12)5(11)7(14-8)4(10)3-9;;/h4-12H,2-3H2,1H3;;/q;+1;-1/t4-,5-,6-,7+,8-;;/m1../s1
InChIKeyJQEPFGSNJHVRIB-WTUBXSMSSA-N
XLogP-5.06
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 5-5.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride with MolForge

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Related Compounds

sodium;(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-tetradecoxyoxolane-3,4-diol;hydride
CID 173338676
(1S)-1-[(2R,3S,4R,5S)-5-ethoxy-3-hydroxy-4-methoxyoxolan-2-yl]ethane-1,2-diol
CID 70617572
(2R,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol
CID 66988484
(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol
CID 66988485
(2R,3R,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-dodecoxyoxolane-3,4-diol
CID 11382473
(2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol
CID 130444434
(2R,3S,4S,5R)-2-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-[(2R,3R,4R,5R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]ethoxy]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11443449
(2R,3S,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-6-methoxyoxane-3,4,5-triol
CID 18664777
(3S,4R,5R)-2-(2-deuterio-2-hydroxyethoxy)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 141346275
(2R,3R,4R,5S)-5-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]oxolane-2,3,4-triol
CID 10569286
(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
[(2R)-2-[(3S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]-2-hydroxyethyl] dihydrogen phosphate
CID 67951833

Frequently Asked Questions

What is the IUPAC name of sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride?
The IUPAC name of sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride (CID 173327837) is sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride.
What is the SMILES notation for sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride?
The canonical SMILES for sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride is CCO[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O.[H-].[Na+].
What is the InChIKey of sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride?
The InChIKey is JQEPFGSNJHVRIB-WTUBXSMSSA-N. The full InChI is InChI=1S/C8H16O6.Na.H/c1-2-13-8-6(12)5(11)7(14-8)4(10)3-9;;/h4-12H,2-3H2,1H3;;/q;+1;-1/t4-,5-,6-,7+,8-;;/m1../s1.
What are the key properties of sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride?
sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride has a molecular weight of 232.21 g/mol, XLogP of -5.06, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride is sourced from PubChem (CID 173327837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).