[(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite

C8H16INO3 — CID 134302754

IUPAC[(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite
SMILESC[C@@H]1C[C@H](N(C)C)[C@@H](OI)C(O)O1
InChIInChI=1S/C8H16INO3/c1-5-4-6(10(2)3)7(13-9)8(11)12-5/h5-8,11H,4H2,1-3H3/t5-,6+,7-,8?/m1/s1
InChIKeyZWVNAMNTINZAEX-MOMMNUENSA-N
MW301.12 g/mol
LogP0.78
Rot. Bonds2

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

[(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite (PubChem CID 134302754) has the molecular formula C8H16INO3 and a molecular weight of 301.12 g/mol. Its IUPAC name is [(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite.

Molecular Properties

Compound Name[(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite
PubChem CID134302754
Molecular FormulaC8H16INO3
Molecular Weight301.12 g/mol
Exact Mass301.02
IUPAC Name[(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite
SMILESC[C@@H]1C[C@H](N(C)C)[C@@H](OI)C(O)O1
InChIInChI=1S/C8H16INO3/c1-5-4-6(10(2)3)7(13-9)8(11)12-5/h5-8,11H,4H2,1-3H3/t5-,6+,7-,8?/m1/s1
InChIKeyZWVNAMNTINZAEX-MOMMNUENSA-N
XLogP0.78
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 50.78
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

(2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane
CID 145399800
(2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol
CID 89217462
[(3R)-4-(dimethylamino)-2-iodooxy-6-methyloxan-3-yl] acetate
CID 145284278
(2R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxane-3-carbaldehyde
CID 142966665
4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol
CID 67952449
(3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine
CID 143366374
(3R,4S,6R)-4-(dimethylamino)-6-methyloxan-3-ol
CID 14139769
(2S,4S,5R,6R)-4-(dimethylamino)-6-methyloxane-2,5-diol
CID 57130951
(2S,4R,5R,6S)-4-(dimethylamino)-6-methyloxane-2,5-diol
CID 90658743
(2R,4R)-3,4-dimethoxy-6-methyloxan-2-ol
CID 129044548
(3S)-4-(dimethylamino)-6-methyloxan-3-ol
CID 89038501
(3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine
CID 165025782

Frequently Asked Questions

What is the IUPAC name of [(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite?
The IUPAC name of [(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite (CID 134302754) is [(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite.
What is the SMILES notation for [(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite?
The canonical SMILES for [(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite is C[C@@H]1C[C@H](N(C)C)[C@@H](OI)C(O)O1.
What is the InChIKey of [(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite?
The InChIKey is ZWVNAMNTINZAEX-MOMMNUENSA-N. The full InChI is InChI=1S/C8H16INO3/c1-5-4-6(10(2)3)7(13-9)8(11)12-5/h5-8,11H,4H2,1-3H3/t5-,6+,7-,8?/m1/s1.
What are the key properties of [(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite?
[(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite has a molecular weight of 301.12 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite is sourced from PubChem (CID 134302754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).