sodium (2R,4R)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate

C6H7NaO6 — CID 140520708

IUPACsodium (2R,4R)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
SMILESO=C([O-])C1=C[C@@H](O)C(O)[C@H](O)O1.[Na+]
InChIInChI=1S/C6H8O6.Na/c7-2-1-3(5(9)10)12-6(11)4(2)8;/h1-2,4,6-8,11H,(H,9,10);/q;+1/p-1/t2-,4?,6-;/m1./s1
InChIKeySQZUOYDQTJAKTE-JLSJNOLMSA-M
MW198.11 g/mol
LogP-6.31
Rot. Bonds1

About sodium (2R,4R)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate

sodium (2R,4R)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 140520708) has the molecular formula C6H7NaO6 and a molecular weight of 198.11 g/mol. Its IUPAC name is sodium (2R,4R)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namesodium (2R,4R)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID140520708
Molecular FormulaC6H7NaO6
Molecular Weight198.11 g/mol
Exact Mass198.01
IUPAC Namesodium (2R,4R)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
SMILESO=C([O-])C1=C[C@@H](O)C(O)[C@H](O)O1.[Na+]
InChIInChI=1S/C6H8O6.Na/c7-2-1-3(5(9)10)12-6(11)4(2)8;/h1-2,4,6-8,11H,(H,9,10);/q;+1/p-1/t2-,4?,6-;/m1./s1
InChIKeySQZUOYDQTJAKTE-JLSJNOLMSA-M
XLogP-6.31
TPSA110.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.11
LogP ≤ 5-6.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium (2R,4R)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of sodium (2R,4R)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate (CID 140520708) is sodium (2R,4R)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for sodium (2R,4R)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for sodium (2R,4R)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate is O=C([O-])C1=C[C@@H](O)C(O)[C@H](O)O1.[Na+].
What is the InChIKey of sodium (2R,4R)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is SQZUOYDQTJAKTE-JLSJNOLMSA-M. The full InChI is InChI=1S/C6H8O6.Na/c7-2-1-3(5(9)10)12-6(11)4(2)8;/h1-2,4,6-8,11H,(H,9,10);/q;+1/p-1/t2-,4?,6-;/m1./s1.
What are the key properties of sodium (2R,4R)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate?
sodium (2R,4R)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 198.11 g/mol, XLogP of -6.31, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2R,4R)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 140520708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).