2,4,5,6-tetrahydroxyoxane-2-carboxylic acid

C6H10O7 — CID 18504511

IUPAC2,4,5,6-tetrahydroxyoxane-2-carboxylic acid
SMILESO=C(O)C1(O)CC(O)C(O)C(O)O1
InChIInChI=1S/C6H10O7/c7-2-1-6(12,5(10)11)13-4(9)3(2)8/h2-4,7-9,12H,1H2,(H,10,11)
InChIKeyIEJPCNQNQHXZNG-UHFFFAOYSA-N
MW194.14 g/mol
LogP-2.78
Rot. Bonds1

About 2,4,5,6-tetrahydroxyoxane-2-carboxylic acid

2,4,5,6-tetrahydroxyoxane-2-carboxylic acid (PubChem CID 18504511) has the molecular formula C6H10O7 and a molecular weight of 194.14 g/mol. Its IUPAC name is 2,4,5,6-tetrahydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name2,4,5,6-tetrahydroxyoxane-2-carboxylic acid
PubChem CID18504511
Molecular FormulaC6H10O7
Molecular Weight194.14 g/mol
Exact Mass194.04
IUPAC Name2,4,5,6-tetrahydroxyoxane-2-carboxylic acid
SMILESO=C(O)C1(O)CC(O)C(O)C(O)O1
InChIInChI=1S/C6H10O7/c7-2-1-6(12,5(10)11)13-4(9)3(2)8/h2-4,7-9,12H,1H2,(H,10,11)
InChIKeyIEJPCNQNQHXZNG-UHFFFAOYSA-N
XLogP-2.78
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 5-2.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetrahydroxyoxane-2-carboxylic acid?
The IUPAC name of 2,4,5,6-tetrahydroxyoxane-2-carboxylic acid (CID 18504511) is 2,4,5,6-tetrahydroxyoxane-2-carboxylic acid.
What is the SMILES notation for 2,4,5,6-tetrahydroxyoxane-2-carboxylic acid?
The canonical SMILES for 2,4,5,6-tetrahydroxyoxane-2-carboxylic acid is O=C(O)C1(O)CC(O)C(O)C(O)O1.
What is the InChIKey of 2,4,5,6-tetrahydroxyoxane-2-carboxylic acid?
The InChIKey is IEJPCNQNQHXZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O7/c7-2-1-6(12,5(10)11)13-4(9)3(2)8/h2-4,7-9,12H,1H2,(H,10,11).
What are the key properties of 2,4,5,6-tetrahydroxyoxane-2-carboxylic acid?
2,4,5,6-tetrahydroxyoxane-2-carboxylic acid has a molecular weight of 194.14 g/mol, XLogP of -2.78, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetrahydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 18504511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).