1,6-diiodohexane-2,3,4,5-tetrol

C6H12I2O4 — CID 27282

IUPAC1,6-diiodohexane-2,3,4,5-tetrol
SMILESOC(CI)C(O)C(O)C(O)CI
InChIInChI=1S/C6H12I2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2
InChIKeyVSJYBSKARROHOH-UHFFFAOYSA-N
MW401.97 g/mol
LogP-0.70
Rot. Bonds5

About 1,6-diiodohexane-2,3,4,5-tetrol

1,6-diiodohexane-2,3,4,5-tetrol (PubChem CID 27282) has the molecular formula C6H12I2O4 and a molecular weight of 401.97 g/mol. Its IUPAC name is 1,6-diiodohexane-2,3,4,5-tetrol.

Molecular Properties

Compound Name1,6-diiodohexane-2,3,4,5-tetrol
PubChem CID27282
Molecular FormulaC6H12I2O4
Molecular Weight401.97 g/mol
Exact Mass401.88
IUPAC Name1,6-diiodohexane-2,3,4,5-tetrol
SMILESOC(CI)C(O)C(O)C(O)CI
InChIInChI=1S/C6H12I2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2
InChIKeyVSJYBSKARROHOH-UHFFFAOYSA-N
XLogP-0.70
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.97
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,6-diiodohexane-2,3,4,5-tetrol 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)-1-iodobutane-2,3-diol
CID 134856288
(2R,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol
CID 6713087
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
CID 87266813
CID 87266813
(2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol
CID 3053653
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828
CID 158428296
CID 158428296

Frequently Asked Questions

What is the IUPAC name of 1,6-diiodohexane-2,3,4,5-tetrol?
The IUPAC name of 1,6-diiodohexane-2,3,4,5-tetrol (CID 27282) is 1,6-diiodohexane-2,3,4,5-tetrol.
What is the SMILES notation for 1,6-diiodohexane-2,3,4,5-tetrol?
The canonical SMILES for 1,6-diiodohexane-2,3,4,5-tetrol is OC(CI)C(O)C(O)C(O)CI.
What is the InChIKey of 1,6-diiodohexane-2,3,4,5-tetrol?
The InChIKey is VSJYBSKARROHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12I2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2.
What are the key properties of 1,6-diiodohexane-2,3,4,5-tetrol?
1,6-diiodohexane-2,3,4,5-tetrol has a molecular weight of 401.97 g/mol, XLogP of -0.70, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diiodohexane-2,3,4,5-tetrol is sourced from PubChem (CID 27282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).