[(2S,3R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hypoiodite

C6H11IO6 — CID 139551811

IUPAC[(2S,3R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hypoiodite
SMILESOCC1O[C@@H](OI)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H11IO6/c7-13-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1H2/t2?,3-,4-,5+,6-/m0/s1
InChIKeyNMARHRQYVIOYGI-DTTIRJDISA-N
MW306.05 g/mol
LogP-1.85
Rot. Bonds2

About [(2S,3R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hypoiodite

[(2S,3R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hypoiodite (PubChem CID 139551811) has the molecular formula C6H11IO6 and a molecular weight of 306.05 g/mol. Its IUPAC name is [(2S,3R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hypoiodite.

Molecular Properties

Compound Name[(2S,3R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hypoiodite
PubChem CID139551811
Molecular FormulaC6H11IO6
Molecular Weight306.05 g/mol
Exact Mass305.96
IUPAC Name[(2S,3R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hypoiodite
SMILESOCC1O[C@@H](OI)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H11IO6/c7-13-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1H2/t2?,3-,4-,5+,6-/m0/s1
InChIKeyNMARHRQYVIOYGI-DTTIRJDISA-N
XLogP-1.85
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.05
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hypoiodite
CID 70896300
(2S,4R,5R)-2-[(2S,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 118428901
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 162947044
(3R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 71034150
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 51579139
(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 70386984
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 18652485
(2R,3S,6R)-2-(hydroxymethyl)-6-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 118137522
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol;dihydrate
CID 53393673
[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] hypoiodite
CID 163618376
(2R,3R,4S,5R,6R)-2-aminooxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 57275927
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hypoiodite?
The IUPAC name of [(2S,3R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hypoiodite (CID 139551811) is [(2S,3R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hypoiodite.
What is the SMILES notation for [(2S,3R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hypoiodite?
The canonical SMILES for [(2S,3R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hypoiodite is OCC1O[C@@H](OI)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of [(2S,3R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hypoiodite?
The InChIKey is NMARHRQYVIOYGI-DTTIRJDISA-N. The full InChI is InChI=1S/C6H11IO6/c7-13-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1H2/t2?,3-,4-,5+,6-/m0/s1.
What are the key properties of [(2S,3R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hypoiodite?
[(2S,3R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hypoiodite has a molecular weight of 306.05 g/mol, XLogP of -1.85, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hypoiodite is sourced from PubChem (CID 139551811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).