IODOCHOLESTEROL

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4A4E6EXB6U

Structure
InChI Key FIOAEFCJGZJUPW-FTLVODPJSA-N
Smile CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CI)[C@H]3CC[C@@]21C
InChI
InChI=1S/C27H45IO/c1-18(2)6-5-7-19(3)23-10-11-24-22-9-8-20-16-21(29)12-15-27(20,17-28)25(22)13-14-26(23,24)4/h8,18-19,21-25,29H,5-7,9-17H2,1-4H3/t19-,21+,22+,23-,24+,25+,26-,27-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H45IO
Molecular Weight 512.56
AlogP 7.8
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 29.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2110675
EPA CompTox DTXSID80190857
FDA SRS 4A4E6EXB6U
PubChem 21150757
SureChEMBL SCHEMBL378862
ZINC ZINC000004216596
CONTENTS