[(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite

C7H13IO5 — CID 142600377

IUPAC[(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite
SMILESCO[C@@H]1C[C@@H](O)[C@H](OI)[C@@H](CO)O1
InChIInChI=1S/C7H13IO5/c1-11-6-2-4(10)7(13-8)5(3-9)12-6/h4-7,9-10H,2-3H2,1H3/t4-,5-,6+,7+/m1/s1
InChIKeyBQQMAOVWIIJXEX-JWXFUTCRSA-N
MW304.08 g/mol
LogP-0.16
Rot. Bonds3

About [(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite

[(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite (PubChem CID 142600377) has the molecular formula C7H13IO5 and a molecular weight of 304.08 g/mol. Its IUPAC name is [(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite.

Molecular Properties

Compound Name[(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite
PubChem CID142600377
Molecular FormulaC7H13IO5
Molecular Weight304.08 g/mol
Exact Mass303.98
IUPAC Name[(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite
SMILESCO[C@@H]1C[C@@H](O)[C@H](OI)[C@@H](CO)O1
InChIInChI=1S/C7H13IO5/c1-11-6-2-4(10)7(13-8)5(3-9)12-6/h4-7,9-10H,2-3H2,1H3/t4-,5-,6+,7+/m1/s1
InChIKeyBQQMAOVWIIJXEX-JWXFUTCRSA-N
XLogP-0.16
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.08
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
(2S,3S,5S)-2-ethyl-5-methoxyoxolan-3-ol
CID 158313772
(2R,3S,5S)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763870
(2R,3S,5R)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763871
[(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol
CID 70296573
(2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol
CID 147159840
(2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol
CID 129234944
(2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 101213887
(2R,3S,4R,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 101213890
2-(hydroxymethyl)-5-(methoxymethyl)oxolan-3-ol
CID 129257886
[(2S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxan-4-yl] hypoiodite
CID 142600724
[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hypochlorite
CID 69004119

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite?
The IUPAC name of [(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite (CID 142600377) is [(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite.
What is the SMILES notation for [(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite?
The canonical SMILES for [(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite is CO[C@@H]1C[C@@H](O)[C@H](OI)[C@@H](CO)O1.
What is the InChIKey of [(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite?
The InChIKey is BQQMAOVWIIJXEX-JWXFUTCRSA-N. The full InChI is InChI=1S/C7H13IO5/c1-11-6-2-4(10)7(13-8)5(3-9)12-6/h4-7,9-10H,2-3H2,1H3/t4-,5-,6+,7+/m1/s1.
What are the key properties of [(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite?
[(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite has a molecular weight of 304.08 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite is sourced from PubChem (CID 142600377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).