6-Astatomethyl-19-norcholest-5(10)-en-3-ol
Basic information
- CAS
101387-37-5- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](C[211At])C4=C(CC[C@H](O)C4)[C@H]3CC[C@]12C- InChIKey
HJAXHGKQQWJCLH-LSBLOZSASA-N- Molecular formula
- C27H45AtO
- Average molar mass
- 596.6 g/mol
- Monoisotopic mass
- 596.33454
Overview
short half-life isotope (211)At of this naturally radioactive element used
Names & identifiers
- Preferred name
- 6-Astatomethyl-19-norcholest-5(10)-en-3-ol
- IUPAC
- [(3S,6R,8S,9S,13R,14S,17R)-3-hydroxy-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]methyl(211At)astatine-211
- English name
- 6-astatomethyl-19-norcholest-5(10)-en-3-ol
- Molecular formula
- C27H45AtO
- Molecular weight
- 596.6546
Names & synonyms
At-Ncl6-Astatomethyl-19-norcholest-5(10)-en-3-ol101387-37-5RefChem:104226DTXSID80906112{[3-Hydroxy-19-norcholest-5(10)-en-6-yl]methyl}(~211~At)astatine{[3beta-Hydroxy-19-norcholest-5(10)-en-6beta-yl]methyl}(~211~At)astatine[(3S,6R,8S,9S,13R,14S,17R)-3-hydroxy-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]methylastatine-211
Database identifiers
- CAS
101387-37-5- PubChem CID
- 127802
- DTXSID
DTXSID80906112
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 610
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…