sodium;(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;hydrate

C6H9NaO7 — CID 23696296

IUPACsodium;(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;hydrate
SMILESO.O=C1O[C@H]([C@H](O)CO)C([O-])=C1O.[Na+]
InChIInChI=1S/C6H8O6.Na.H2O/c7-1-2(8)5-3(9)4(10)6(11)12-5;;/h2,5,7-10H,1H2;;1H2/q;+1;/p-1/t2-,5-;;/m1../s1
InChIKeyNKESWEQTVZVSSF-DMWQRSMXSA-M
MW216.12 g/mol
LogP-6.43
Rot. Bonds2

About sodium;(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;hydrate

sodium;(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;hydrate (PubChem CID 23696296) has the molecular formula C6H9NaO7 and a molecular weight of 216.12 g/mol. Its IUPAC name is sodium;(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;hydrate.

Molecular Properties

Compound Namesodium;(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;hydrate
PubChem CID23696296
Molecular FormulaC6H9NaO7
Molecular Weight216.12 g/mol
Exact Mass216.02
IUPAC Namesodium;(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;hydrate
SMILESO.O=C1O[C@H]([C@H](O)CO)C([O-])=C1O.[Na+]
InChIInChI=1S/C6H8O6.Na.H2O/c7-1-2(8)5-3(9)4(10)6(11)12-5;;/h2,5,7-10H,1H2;;1H2/q;+1;/p-1/t2-,5-;;/m1../s1
InChIKeyNKESWEQTVZVSSF-DMWQRSMXSA-M
XLogP-6.43
TPSA141.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 5-6.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze sodium;(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;hydrate 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 sodium;(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;hydrate?
The IUPAC name of sodium;(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;hydrate (CID 23696296) is sodium;(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;hydrate.
What is the SMILES notation for sodium;(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;hydrate?
The canonical SMILES for sodium;(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;hydrate is O.O=C1O[C@H]([C@H](O)CO)C([O-])=C1O.[Na+].
What is the InChIKey of sodium;(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;hydrate?
The InChIKey is NKESWEQTVZVSSF-DMWQRSMXSA-M. The full InChI is InChI=1S/C6H8O6.Na.H2O/c7-1-2(8)5-3(9)4(10)6(11)12-5;;/h2,5,7-10H,1H2;;1H2/q;+1;/p-1/t2-,5-;;/m1../s1.
What are the key properties of sodium;(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;hydrate?
sodium;(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;hydrate has a molecular weight of 216.12 g/mol, XLogP of -6.43, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;hydrate is sourced from PubChem (CID 23696296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).