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

C7H13IO4 — CID 142600724

IUPAC[(2S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxan-4-yl] hypoiodite
SMILESCO[C@H]1C[C@@H](OI)C[C@@H](CO)O1
InChIInChI=1S/C7H13IO4/c1-10-7-3-5(12-8)2-6(4-9)11-7/h5-7,9H,2-4H2,1H3/t5-,6-,7+/m0/s1
InChIKeyTWCUXCRACCOVKG-LYFYHCNISA-N
MW288.08 g/mol
LogP0.87
Rot. Bonds3

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

[(2S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxan-4-yl] hypoiodite (PubChem CID 142600724) has the molecular formula C7H13IO4 and a molecular weight of 288.08 g/mol. Its IUPAC name is [(2S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxan-4-yl] hypoiodite.

Molecular Properties

Compound Name[(2S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxan-4-yl] hypoiodite
PubChem CID142600724
Molecular FormulaC7H13IO4
Molecular Weight288.08 g/mol
Exact Mass287.99
IUPAC Name[(2S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxan-4-yl] hypoiodite
SMILESCO[C@H]1C[C@@H](OI)C[C@@H](CO)O1
InChIInChI=1S/C7H13IO4/c1-10-7-3-5(12-8)2-6(4-9)11-7/h5-7,9H,2-4H2,1H3/t5-,6-,7+/m0/s1
InChIKeyTWCUXCRACCOVKG-LYFYHCNISA-N
XLogP0.87
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.08
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)-6-methoxyoxan-4-ol
CID 14831299
[(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite
CID 142600377
methyl 2-[(2S,4S,6S)-4,6-dimethoxyoxan-2-yl]acetate
CID 10987731
[2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate
CID 129275610
[(4S)-2-butanoyloxy-6-(hydroxymethyl)oxan-4-yl] butanoate
CID 142492684
[(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol
CID 70296573
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
(2S,3S,4S,6R)-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 93090180
(2S,3S,5S)-2-ethyl-5-methoxyoxolan-3-ol
CID 158313772
(3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol
CID 143771593
(2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol
CID 147159840
(2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol
CID 129171598

Frequently Asked Questions

What is the IUPAC name of [(2S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxan-4-yl] hypoiodite?
The IUPAC name of [(2S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxan-4-yl] hypoiodite (CID 142600724) is [(2S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxan-4-yl] hypoiodite.
What is the SMILES notation for [(2S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxan-4-yl] hypoiodite?
The canonical SMILES for [(2S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxan-4-yl] hypoiodite is CO[C@H]1C[C@@H](OI)C[C@@H](CO)O1.
What is the InChIKey of [(2S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxan-4-yl] hypoiodite?
The InChIKey is TWCUXCRACCOVKG-LYFYHCNISA-N. The full InChI is InChI=1S/C7H13IO4/c1-10-7-3-5(12-8)2-6(4-9)11-7/h5-7,9H,2-4H2,1H3/t5-,6-,7+/m0/s1.
What are the key properties of [(2S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxan-4-yl] hypoiodite?
[(2S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxan-4-yl] hypoiodite has a molecular weight of 288.08 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxan-4-yl] hypoiodite is sourced from PubChem (CID 142600724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).