N-Acetyliodocolchinol
Basic information
- CAS
38838-27-6- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1cc(I)c(O)cc1C(NC(C)=O)CC2- InChIKey
NTJNSPIBKNYJBX-UHFFFAOYSA-N- Molecular formula
- C20H22INO5
- Average molar mass
- 483.3 g/mol
- Monoisotopic mass
- 483.05427
Names & identifiers
- Preferred name
- N-Acetyliodocolchinol
- IUPAC
- N-(5-hydroxy-4-iodo-13,14,15-trimethoxy-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)acetamide
Names & synonyms
N-AcetyliodocolchinolNSC 33408N-Acetyl-10-iodocolchinol38838-27-6Acetamide, N-(3-hydroxy-2-iodo-9,10,11-trimethoxy-5H-dibenzo(a,c)cyclohepten-5-yl)-, (S)-RefChem:162749Acetamide, N-(3-hydroxy-2-iodo-9,10,11-trimethoxy-5H-dibenzo(a,c)cyclohepten-5-yl)-, (S)-(9CI)NTJNSPIBKNYJBX-UHFFFAOYSA-NSCHEMBL30418547N-(3-Hydroxy-2-iodo-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl)acetamide #
Database identifiers
- CAS
38838-27-6- PubChem CID
- 97741
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 521
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Compound notes
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