Cas no 38838-27-6 ( )
structure
Product Name:
CAS No:38838-27-6
MF:C20H22INO5
MW:483.296858310699
CID:923974
PubChem ID:97741
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- N-Acetyliodocolchinol
- 38838-27-6
- NTJNSPIBKNYJBX-UHFFFAOYSA-N
- NSC 33408
- Acetamide, N-(3-hydroxy-2-iodo-9,10,11-trimethoxy-5H-dibenzo(a,c)cyclohepten-5-yl)-, (S)-
- N-(3-Hydroxy-2-iodo-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl)acetamide #
- N-Acetyl-10-iodocolchinol
-
-
- Inchi： 1S/C20H22INO5/c1-10(23)22-15-6-5-11-7-17(25-2)19(26-3)20(27-4)18(11)13-8-14(21)16(24)9-12(13)15/h7-9,15,24H,5-6H2,1-4H3,(H,22,23)
- InChI Key： NTJNSPIBKNYJBX-UHFFFAOYSA-N
- SMILES： IC1C(=CC2=C(C=1)C1C(=C(C(=CC=1CCC2NC(C)=O)OC)OC)OC)O
Computed Properties
- Exact Mass: 483.05386
- Monoisotopic Mass: 483.05427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 4
- Complexity: 521
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 77?2
Experimental Properties
- PSA: 77.02
Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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