(2R,3R,5R)-3-iodo-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-4-one

C7H9IO4 — CID 134857910

IUPAC(2R,3R,5R)-3-iodo-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-4-one
SMILESCO[C@@H]1C2CO[C@H](O2)C(=O)[C@@H]1I
InChIInChI=1S/C7H9IO4/c1-10-6-3-2-11-7(12-3)5(9)4(6)8/h3-4,6-7H,2H2,1H3/t3?,4-,6+,7+/m0/s1
InChIKeyVVVGXQROHHSPJJ-XGJQIYMJSA-N
MW284.05 g/mol
LogP0.13
Rot. Bonds1

About (2R,3R,5R)-3-iodo-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-4-one

(2R,3R,5R)-3-iodo-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-4-one (PubChem CID 134857910) has the molecular formula C7H9IO4 and a molecular weight of 284.05 g/mol. Its IUPAC name is (2R,3R,5R)-3-iodo-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-4-one.

Molecular Properties

Compound Name(2R,3R,5R)-3-iodo-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-4-one
PubChem CID134857910
Molecular FormulaC7H9IO4
Molecular Weight284.05 g/mol
Exact Mass283.95
IUPAC Name(2R,3R,5R)-3-iodo-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-4-one
SMILESCO[C@@H]1C2CO[C@H](O2)C(=O)[C@@H]1I
InChIInChI=1S/C7H9IO4/c1-10-6-3-2-11-7(12-3)5(9)4(6)8/h3-4,6-7H,2H2,1H3/t3?,4-,6+,7+/m0/s1
InChIKeyVVVGXQROHHSPJJ-XGJQIYMJSA-N
XLogP0.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.05
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3R,5R)-3-iodo-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5R)-6,8-dioxabicyclo(3.2.1)octan-4-one
CID 10975499
6,8-Dioxabicyclo[3.2.1]octan-4-one
CID 12896875
Methyl 2,3-anhydro-6-deoxyhexopyranosid-4-ulose
CID 326399
6,8-Dioxabicyclo[3.2.1]octan-2-one
CID 12896877
1,6-anhydro-3-deoxy-beta-D-erythro-hexopyranos-2-ulose
CID 11040815
(1R,2S,5R)-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-4-one
CID 11332608
[(1S,2R,3S,4R,5S)-2-acetyloxy-4-iodo-7-oxo-6,8-dioxabicyclo[3.2.1]octan-3-yl] acetate
CID 101734383
1,6-Anhydro-4-hydroxy--d-erythro-hexopyranos-2-ulose
CID 129706451
[(1R,4S,5R)-2-oxo-6,8-dioxabicyclo[3.2.1]octan-4-yl] acetate
CID 170851046
[(1R,4R,5R)-2-oxo-6,8-dioxabicyclo[3.2.1]octan-4-yl] acetate
CID 170851047
[(1R,2R,3R,5R)-3-iodo-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate
CID 76764376
(1R,2R,3R,5R)-3-iodo-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-4-one
CID 76764420

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-3-iodo-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-4-one?
The IUPAC name of (2R,3R,5R)-3-iodo-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-4-one (CID 134857910) is (2R,3R,5R)-3-iodo-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-4-one.
What is the SMILES notation for (2R,3R,5R)-3-iodo-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-4-one?
The canonical SMILES for (2R,3R,5R)-3-iodo-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-4-one is CO[C@@H]1C2CO[C@H](O2)C(=O)[C@@H]1I.
What is the InChIKey of (2R,3R,5R)-3-iodo-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-4-one?
The InChIKey is VVVGXQROHHSPJJ-XGJQIYMJSA-N. The full InChI is InChI=1S/C7H9IO4/c1-10-6-3-2-11-7(12-3)5(9)4(6)8/h3-4,6-7H,2H2,1H3/t3?,4-,6+,7+/m0/s1.
What are the key properties of (2R,3R,5R)-3-iodo-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-4-one?
(2R,3R,5R)-3-iodo-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-4-one has a molecular weight of 284.05 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-3-iodo-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-4-one is sourced from PubChem (CID 134857910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).