2,3,4,5-tetrahydroxyoxane-2-carbaldehyde

C6H10O6 — CID 25201238

IUPAC2,3,4,5-tetrahydroxyoxane-2-carbaldehyde
SMILESO=CC1(O)OCC(O)C(O)C1O
InChIInChI=1S/C6H10O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h2-5,8-11H,1H2
InChIKeyYOWZFXGYLFJKGZ-UHFFFAOYSA-N
MW178.14 g/mol
LogP-3.01
Rot. Bonds1

About 2,3,4,5-tetrahydroxyoxane-2-carbaldehyde

2,3,4,5-tetrahydroxyoxane-2-carbaldehyde (PubChem CID 25201238) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is 2,3,4,5-tetrahydroxyoxane-2-carbaldehyde.

Molecular Properties

Compound Name2,3,4,5-tetrahydroxyoxane-2-carbaldehyde
PubChem CID25201238
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name2,3,4,5-tetrahydroxyoxane-2-carbaldehyde
SMILESO=CC1(O)OCC(O)C(O)C1O
InChIInChI=1S/C6H10O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h2-5,8-11H,1H2
InChIKeyYOWZFXGYLFJKGZ-UHFFFAOYSA-N
XLogP-3.01
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-3.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydroxyoxane-2-carbaldehyde?
The IUPAC name of 2,3,4,5-tetrahydroxyoxane-2-carbaldehyde (CID 25201238) is 2,3,4,5-tetrahydroxyoxane-2-carbaldehyde.
What is the SMILES notation for 2,3,4,5-tetrahydroxyoxane-2-carbaldehyde?
The canonical SMILES for 2,3,4,5-tetrahydroxyoxane-2-carbaldehyde is O=CC1(O)OCC(O)C(O)C1O.
What is the InChIKey of 2,3,4,5-tetrahydroxyoxane-2-carbaldehyde?
The InChIKey is YOWZFXGYLFJKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h2-5,8-11H,1H2.
What are the key properties of 2,3,4,5-tetrahydroxyoxane-2-carbaldehyde?
2,3,4,5-tetrahydroxyoxane-2-carbaldehyde has a molecular weight of 178.14 g/mol, XLogP of -3.01, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydroxyoxane-2-carbaldehyde is sourced from PubChem (CID 25201238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).