2-iodo-6-methyloxane-3,4,5-triol

C6H11IO4 — CID 77439703

IUPAC2-iodo-6-methyloxane-3,4,5-triol
SMILESCC1OC(I)C(O)C(O)C1O
InChIInChI=1S/C6H11IO4/c1-2-3(8)4(9)5(10)6(7)11-2/h2-6,8-10H,1H3
InChIKeyNDSUFXCHCCJZMK-UHFFFAOYSA-N
MW274.05 g/mol
LogP-0.75
Rot. Bonds

About 2-iodo-6-methyloxane-3,4,5-triol

2-iodo-6-methyloxane-3,4,5-triol (PubChem CID 77439703) has the molecular formula C6H11IO4 and a molecular weight of 274.05 g/mol. Its IUPAC name is 2-iodo-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name2-iodo-6-methyloxane-3,4,5-triol
PubChem CID77439703
Molecular FormulaC6H11IO4
Molecular Weight274.05 g/mol
Exact Mass273.97
IUPAC Name2-iodo-6-methyloxane-3,4,5-triol
SMILESCC1OC(I)C(O)C(O)C1O
InChIInChI=1S/C6H11IO4/c1-2-3(8)4(9)5(10)6(7)11-2/h2-6,8-10H,1H3
InChIKeyNDSUFXCHCCJZMK-UHFFFAOYSA-N
XLogP-0.75
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.05
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-methyloxane-3,4,5-triol?
The IUPAC name of 2-iodo-6-methyloxane-3,4,5-triol (CID 77439703) is 2-iodo-6-methyloxane-3,4,5-triol.
What is the SMILES notation for 2-iodo-6-methyloxane-3,4,5-triol?
The canonical SMILES for 2-iodo-6-methyloxane-3,4,5-triol is CC1OC(I)C(O)C(O)C1O.
What is the InChIKey of 2-iodo-6-methyloxane-3,4,5-triol?
The InChIKey is NDSUFXCHCCJZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IO4/c1-2-3(8)4(9)5(10)6(7)11-2/h2-6,8-10H,1H3.
What are the key properties of 2-iodo-6-methyloxane-3,4,5-triol?
2-iodo-6-methyloxane-3,4,5-triol has a molecular weight of 274.05 g/mol, XLogP of -0.75, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 77439703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).