2,3,4,5,6-pentahydroxyhexanal;pentane-1,2,3,4,5-pentol

C11H24O11 — CID 22593493

IUPAC2,3,4,5,6-pentahydroxyhexanal;pentane-1,2,3,4,5-pentol
SMILESO=CC(O)C(O)C(O)C(O)CO.OCC(O)C(O)C(O)CO
InChIInChI=1S/C6H12O6.C5H12O5/c7-1-3(9)5(11)6(12)4(10)2-8;6-1-3(8)5(10)4(9)2-7/h1,3-6,8-12H,2H2;3-10H,1-2H2
InChIKeyUHUZBXCDYJGKIY-UHFFFAOYSA-N
MW332.30 g/mol
LogP-6.33
Rot. Bonds9

About 2,3,4,5,6-pentahydroxyhexanal;pentane-1,2,3,4,5-pentol

2,3,4,5,6-pentahydroxyhexanal;pentane-1,2,3,4,5-pentol (PubChem CID 22593493) has the molecular formula C11H24O11 and a molecular weight of 332.30 g/mol. Its IUPAC name is 2,3,4,5,6-pentahydroxyhexanal;pentane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name2,3,4,5,6-pentahydroxyhexanal;pentane-1,2,3,4,5-pentol
PubChem CID22593493
Molecular FormulaC11H24O11
Molecular Weight332.30 g/mol
Exact Mass332.13
IUPAC Name2,3,4,5,6-pentahydroxyhexanal;pentane-1,2,3,4,5-pentol
SMILESO=CC(O)C(O)C(O)C(O)CO.OCC(O)C(O)C(O)CO
InChIInChI=1S/C6H12O6.C5H12O5/c7-1-3(9)5(11)6(12)4(10)2-8;6-1-3(8)5(10)4(9)2-7/h1,3-6,8-12H,2H2;3-10H,1-2H2
InChIKeyUHUZBXCDYJGKIY-UHFFFAOYSA-N
XLogP-6.33
TPSA219.37 Ų
H-Bond Donors10
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500332.30
LogP ≤ 5-6.33
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2,3,4,5,6-pentahydroxyhexanal;pentane-1,2,3,4,5-pentol 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

(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87227969
(2S)-2,3,4,5,6-pentahydroxyhexanal
CID 89242343
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87772987
(3R,4R)-2,3,4,5,6-pentahydroxyhexanal
CID 130245293
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 3037556
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 86597567
2,3,4,5,6-pentahydroxyhexanal;hydrobromide
CID 174381497
azane;(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 173336808
methane;(2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanal
CID 175873385
2,3,4,5,6-pentahydroxyhexanal;trihydrate
CID 174605740
(2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal
CID 87088979
2,3,4,5,6-pentahydroxyhexanal;silver
CID 174703669

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentahydroxyhexanal;pentane-1,2,3,4,5-pentol?
The IUPAC name of 2,3,4,5,6-pentahydroxyhexanal;pentane-1,2,3,4,5-pentol (CID 22593493) is 2,3,4,5,6-pentahydroxyhexanal;pentane-1,2,3,4,5-pentol.
What is the SMILES notation for 2,3,4,5,6-pentahydroxyhexanal;pentane-1,2,3,4,5-pentol?
The canonical SMILES for 2,3,4,5,6-pentahydroxyhexanal;pentane-1,2,3,4,5-pentol is O=CC(O)C(O)C(O)C(O)CO.OCC(O)C(O)C(O)CO.
What is the InChIKey of 2,3,4,5,6-pentahydroxyhexanal;pentane-1,2,3,4,5-pentol?
The InChIKey is UHUZBXCDYJGKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O6.C5H12O5/c7-1-3(9)5(11)6(12)4(10)2-8;6-1-3(8)5(10)4(9)2-7/h1,3-6,8-12H,2H2;3-10H,1-2H2.
What are the key properties of 2,3,4,5,6-pentahydroxyhexanal;pentane-1,2,3,4,5-pentol?
2,3,4,5,6-pentahydroxyhexanal;pentane-1,2,3,4,5-pentol has a molecular weight of 332.30 g/mol, XLogP of -6.33, 9 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentahydroxyhexanal;pentane-1,2,3,4,5-pentol is sourced from PubChem (CID 22593493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).