5,6,7,8-tetrahydroxy-4-oxooctanal

C8H14O6 — CID 57345802

IUPAC5,6,7,8-tetrahydroxy-4-oxooctanal
SMILESO=CCCC(=O)C(O)C(O)C(O)CO
InChIInChI=1S/C8H14O6/c9-3-1-2-5(11)7(13)8(14)6(12)4-10/h3,6-8,10,12-14H,1-2,4H2
InChIKeyXFCGLWRWUATEAY-UHFFFAOYSA-N
MW206.19 g/mol
LogP-2.39
Rot. Bonds7

About 5,6,7,8-tetrahydroxy-4-oxooctanal

5,6,7,8-tetrahydroxy-4-oxooctanal (PubChem CID 57345802) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroxy-4-oxooctanal.

Molecular Properties

Compound Name5,6,7,8-tetrahydroxy-4-oxooctanal
PubChem CID57345802
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name5,6,7,8-tetrahydroxy-4-oxooctanal
SMILESO=CCCC(=O)C(O)C(O)C(O)CO
InChIInChI=1S/C8H14O6/c9-3-1-2-5(11)7(13)8(14)6(12)4-10/h3,6-8,10,12-14H,1-2,4H2
InChIKeyXFCGLWRWUATEAY-UHFFFAOYSA-N
XLogP-2.39
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-2.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,6,7,8-tetrahydroxy-4-oxooctanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

D-Sedoheptulose
CID 5459879
D-manno-2-heptulose
CID 102926
Mannoheptulose
CID 12600
glycero-galacto-Heptose
CID 219662
Sorbosone, L-
CID 10921067
D-glycero-D-manno-2-Octulose
CID 102060354
Glycero-gulo-heptose
CID 76599
7-Deoxyheptose
CID 34747
2,3-Dihydroxydodecane-4,7-dione
CID 57461625
(2S,3S,4R,5R,6S)-2,3,4,5,6,7-hexahydroxyheptanal
CID 151200
Ethyl glucose
CID 18650032
Octose
CID 219659

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroxy-4-oxooctanal?
The IUPAC name of 5,6,7,8-tetrahydroxy-4-oxooctanal (CID 57345802) is 5,6,7,8-tetrahydroxy-4-oxooctanal.
What is the SMILES notation for 5,6,7,8-tetrahydroxy-4-oxooctanal?
The canonical SMILES for 5,6,7,8-tetrahydroxy-4-oxooctanal is O=CCCC(=O)C(O)C(O)C(O)CO.
What is the InChIKey of 5,6,7,8-tetrahydroxy-4-oxooctanal?
The InChIKey is XFCGLWRWUATEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6/c9-3-1-2-5(11)7(13)8(14)6(12)4-10/h3,6-8,10,12-14H,1-2,4H2.
What are the key properties of 5,6,7,8-tetrahydroxy-4-oxooctanal?
5,6,7,8-tetrahydroxy-4-oxooctanal has a molecular weight of 206.19 g/mol, XLogP of -2.39, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroxy-4-oxooctanal is sourced from PubChem (CID 57345802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).