6-hydroxy-2,3,4-tris(hydroxymethyl)benzaldehyde

C10H12O5 — CID 88756887

IUPAC6-hydroxy-2,3,4-tris(hydroxymethyl)benzaldehyde
SMILESO=Cc1c(O)cc(CO)c(CO)c1CO
InChIInChI=1S/C10H12O5/c11-2-6-1-10(15)9(5-14)8(4-13)7(6)3-12/h1,5,11-13,15H,2-4H2
InChIKeyXYDATHVLPNRIIG-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.32
Rot. Bonds4

About 6-hydroxy-2,3,4-tris(hydroxymethyl)benzaldehyde

6-hydroxy-2,3,4-tris(hydroxymethyl)benzaldehyde (PubChem CID 88756887) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 6-hydroxy-2,3,4-tris(hydroxymethyl)benzaldehyde.

Molecular Properties

Compound Name6-hydroxy-2,3,4-tris(hydroxymethyl)benzaldehyde
PubChem CID88756887
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name6-hydroxy-2,3,4-tris(hydroxymethyl)benzaldehyde
SMILESO=Cc1c(O)cc(CO)c(CO)c1CO
InChIInChI=1S/C10H12O5/c11-2-6-1-10(15)9(5-14)8(4-13)7(6)3-12/h1,5,11-13,15H,2-4H2
InChIKeyXYDATHVLPNRIIG-UHFFFAOYSA-N
XLogP-0.32
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,3,4-tris(hydroxymethyl)benzaldehyde?
The IUPAC name of 6-hydroxy-2,3,4-tris(hydroxymethyl)benzaldehyde (CID 88756887) is 6-hydroxy-2,3,4-tris(hydroxymethyl)benzaldehyde.
What is the SMILES notation for 6-hydroxy-2,3,4-tris(hydroxymethyl)benzaldehyde?
The canonical SMILES for 6-hydroxy-2,3,4-tris(hydroxymethyl)benzaldehyde is O=Cc1c(O)cc(CO)c(CO)c1CO.
What is the InChIKey of 6-hydroxy-2,3,4-tris(hydroxymethyl)benzaldehyde?
The InChIKey is XYDATHVLPNRIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c11-2-6-1-10(15)9(5-14)8(4-13)7(6)3-12/h1,5,11-13,15H,2-4H2.
What are the key properties of 6-hydroxy-2,3,4-tris(hydroxymethyl)benzaldehyde?
6-hydroxy-2,3,4-tris(hydroxymethyl)benzaldehyde has a molecular weight of 212.20 g/mol, XLogP of -0.32, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,3,4-tris(hydroxymethyl)benzaldehyde is sourced from PubChem (CID 88756887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).