TRANS-2-(IODOMETHYL)-1,3-DIOXOLANE-4-METHANOL

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key NEIPZWZQHXCYDV-WHFBIAKZSA-N
Smiles OC[C@H]1CO[C@H](CI)O1
InChI
InChI=1/C5H9IO3/c6-1-5-8-3-4(2-7)9-5/h4-5,7H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9IO3
Molecular Weight 243.96
AlogP 0.16
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 38.69
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 61508-57-4
NORMAN SUSDAT
CONTENTS