3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

C6H10O7 — CID 610

IUPAC3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
SMILESO=C(O)C1OC(O)C(O)C(O)C1O
InChIInChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)
InChIKeyAEMOLEFTQBMNLQ-UHFFFAOYSA-N
MW194.14 g/mol
LogP-3.13
Rot. Bonds1

About 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

3,4,5,6-tetrahydroxyoxane-2-carboxylic acid (PubChem CID 610) has the molecular formula C6H10O7 and a molecular weight of 194.14 g/mol. Its IUPAC name is 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
PubChem CID610
Molecular FormulaC6H10O7
Molecular Weight194.14 g/mol
Exact Mass194.04
IUPAC Name3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
SMILESO=C(O)C1OC(O)C(O)C(O)C1O
InChIInChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)
InChIKeyAEMOLEFTQBMNLQ-UHFFFAOYSA-N
XLogP-3.13
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 ≤ 5-3.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid?
The IUPAC name of 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid (CID 610) is 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid.
What is the SMILES notation for 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid?
The canonical SMILES for 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid is O=C(O)C1OC(O)C(O)C(O)C1O.
What is the InChIKey of 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid?
The InChIKey is AEMOLEFTQBMNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11).
What are the key properties of 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid?
3,4,5,6-tetrahydroxyoxane-2-carboxylic acid has a molecular weight of 194.14 g/mol, XLogP of -3.13, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).