Sodium Erythorbate

C6H7NaO6 — CID 23683938

IUPACsodium (2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate
SMILESC([C@H]([C@@H]1C(=C(C(=O)O1)O)[O-])O)O.[Na+]
InChIInChI=1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5-;/m1./s1
InChIKeyPPASLZSBLFJQEF-RKJRWTFHSA-M
MW198.11 g/mol
LogP—
Rot. Bonds2

About Sodium Erythorbate

Sodium Erythorbate (PubChem CID 23683938) has the molecular formula C6H7NaO6 and a molecular weight of 198.11 g/mol. Its IUPAC name is sodium (2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate.

Molecular Properties

Compound NameSodium Erythorbate
PubChem CID23683938
Molecular FormulaC6H7NaO6
Molecular Weight198.11 g/mol
Exact Mass198.01
IUPAC Namesodium (2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate
SMILESC([C@H]([C@@H]1C(=C(C(=O)O1)O)[O-])O)O.[Na+]
InChIInChI=1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5-;/m1./s1
InChIKeyPPASLZSBLFJQEF-RKJRWTFHSA-M
XLogP—
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity237

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of Sodium Erythorbate?
The IUPAC name of Sodium Erythorbate (CID 23683938) is sodium (2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate.
What is the SMILES notation for Sodium Erythorbate?
The canonical SMILES for Sodium Erythorbate is C([C@H]([C@@H]1C(=C(C(=O)O1)O)[O-])O)O.[Na+].
What is the InChIKey of Sodium Erythorbate?
The InChIKey is PPASLZSBLFJQEF-RKJRWTFHSA-M. The full InChI is InChI=1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5-;/m1./s1.
What are the key properties of Sodium Erythorbate?
Sodium Erythorbate has a molecular weight of 198.11 g/mol, XLogP of not available, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Sodium Erythorbate is sourced from PubChem (CID 23683938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).