[(2R,4R,5R)-4,5,6-trihydroxy-1-oxohexan-2-yl] hypoiodite

C6H11IO5 — CID 88710909

IUPAC[(2R,4R,5R)-4,5,6-trihydroxy-1-oxohexan-2-yl] hypoiodite
SMILESO=C[C@@H](C[C@@H](O)[C@H](O)CO)OI
InChIInChI=1S/C6H11IO5/c7-12-4(2-8)1-5(10)6(11)3-9/h2,4-6,9-11H,1,3H2/t4-,5-,6-/m1/s1
InChIKeyQUQHORCREUUTKQ-HSUXUTPPSA-N
MW290.05 g/mol
LogP-0.98
Rot. Bonds6

About [(2R,4R,5R)-4,5,6-trihydroxy-1-oxohexan-2-yl] hypoiodite

[(2R,4R,5R)-4,5,6-trihydroxy-1-oxohexan-2-yl] hypoiodite (PubChem CID 88710909) has the molecular formula C6H11IO5 and a molecular weight of 290.05 g/mol. Its IUPAC name is [(2R,4R,5R)-4,5,6-trihydroxy-1-oxohexan-2-yl] hypoiodite.

Molecular Properties

Compound Name[(2R,4R,5R)-4,5,6-trihydroxy-1-oxohexan-2-yl] hypoiodite
PubChem CID88710909
Molecular FormulaC6H11IO5
Molecular Weight290.05 g/mol
Exact Mass289.97
IUPAC Name[(2R,4R,5R)-4,5,6-trihydroxy-1-oxohexan-2-yl] hypoiodite
SMILESO=C[C@@H](C[C@@H](O)[C@H](O)CO)OI
InChIInChI=1S/C6H11IO5/c7-12-4(2-8)1-5(10)6(11)3-9/h2,4-6,9-11H,1,3H2/t4-,5-,6-/m1/s1
InChIKeyQUQHORCREUUTKQ-HSUXUTPPSA-N
XLogP-0.98
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.05
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S,5R)-2-aminooxy-4,5,6-trihydroxyhexanal
CID 88657763
(3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal
CID 155345176
(3S,4S)-3,4,5-trihydroxypentanal
CID 6994526
3-prop-2-enoxyprop-1-ene;3,4,5-trihydroxypentanal
CID 175306562
(2S,3R)-2,3,4-trihydroxy(113C)butanal
CID 131883807
aminophosphonic acid;3,4,5-trihydroxypentanal
CID 174567832
(2S,3R)-2,3,4-trihydroxybutanal;pentahydrate
CID 140967794
pentakis((2S,3R)-butane-1,2,3,4-tetrol);bis((Z)-but-2-enedioic acid)
CID 157481940
(2R,4R,5S)-2-aminooxy-4,5-dihydroxyhexanal
CID 135370570
(2R,3R,5R)-hexane-1,2,3,5,6-pentol
CID 6451627
(2S,3S,4S,5R)-3,4,5,6-tetrahydroxy-2-iodohexanal
CID 87512788
(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 87648240

Frequently Asked Questions

What is the IUPAC name of [(2R,4R,5R)-4,5,6-trihydroxy-1-oxohexan-2-yl] hypoiodite?
The IUPAC name of [(2R,4R,5R)-4,5,6-trihydroxy-1-oxohexan-2-yl] hypoiodite (CID 88710909) is [(2R,4R,5R)-4,5,6-trihydroxy-1-oxohexan-2-yl] hypoiodite.
What is the SMILES notation for [(2R,4R,5R)-4,5,6-trihydroxy-1-oxohexan-2-yl] hypoiodite?
The canonical SMILES for [(2R,4R,5R)-4,5,6-trihydroxy-1-oxohexan-2-yl] hypoiodite is O=C[C@@H](C[C@@H](O)[C@H](O)CO)OI.
What is the InChIKey of [(2R,4R,5R)-4,5,6-trihydroxy-1-oxohexan-2-yl] hypoiodite?
The InChIKey is QUQHORCREUUTKQ-HSUXUTPPSA-N. The full InChI is InChI=1S/C6H11IO5/c7-12-4(2-8)1-5(10)6(11)3-9/h2,4-6,9-11H,1,3H2/t4-,5-,6-/m1/s1.
What are the key properties of [(2R,4R,5R)-4,5,6-trihydroxy-1-oxohexan-2-yl] hypoiodite?
[(2R,4R,5R)-4,5,6-trihydroxy-1-oxohexan-2-yl] hypoiodite has a molecular weight of 290.05 g/mol, XLogP of -0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R,5R)-4,5,6-trihydroxy-1-oxohexan-2-yl] hypoiodite is sourced from PubChem (CID 88710909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).