2,3,4,5,6-pentahydroxyhexanal

C6H12O6 — CID 24749

IUPAC2,3,4,5,6-pentahydroxyhexanal
SMILESO=CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2
InChIKeyGZCGUPFRVQAUEE-UHFFFAOYSA-N
MW180.16 g/mol
LogP-3.38
Rot. Bonds5

About 2,3,4,5,6-pentahydroxyhexanal

2,3,4,5,6-pentahydroxyhexanal (PubChem CID 24749) has the molecular formula C6H12O6 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2,3,4,5,6-pentahydroxyhexanal.

Molecular Properties

Compound Name2,3,4,5,6-pentahydroxyhexanal
PubChem CID24749
Molecular FormulaC6H12O6
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Name2,3,4,5,6-pentahydroxyhexanal
SMILESO=CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2
InChIKeyGZCGUPFRVQAUEE-UHFFFAOYSA-N
XLogP-3.38
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-3.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Gluconic Acid
CID 10690
Galactaric acid
CID 3037582
2-Deoxyglucose
CID 108223
Invert Sugar
CID 21924868
Gluconic acid, monopotassium salt
CID 16760467
Glucuronolactone
CID 92283
Fludeoxyglucose F-18
CID 68614
Glucaric Acid
CID 33037
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 107526
Sodium Gluconate
CID 23672301
D-(-)-Fructose
CID 5984
Galacturonic Acid
CID 84740

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentahydroxyhexanal?
The IUPAC name of 2,3,4,5,6-pentahydroxyhexanal (CID 24749) is 2,3,4,5,6-pentahydroxyhexanal.
What is the SMILES notation for 2,3,4,5,6-pentahydroxyhexanal?
The canonical SMILES for 2,3,4,5,6-pentahydroxyhexanal is O=CC(O)C(O)C(O)C(O)CO.
What is the InChIKey of 2,3,4,5,6-pentahydroxyhexanal?
The InChIKey is GZCGUPFRVQAUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2.
What are the key properties of 2,3,4,5,6-pentahydroxyhexanal?
2,3,4,5,6-pentahydroxyhexanal has a molecular weight of 180.16 g/mol, XLogP of -3.38, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentahydroxyhexanal is sourced from PubChem (CID 24749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).