Cas no 62921-54-4 (3,6,9,12-Tetraoxa-16-azabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione, 15,17-dimethyl-)
![3,6,9,12-Tetraoxa-16-azabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione, 15,17-dimethyl- structure](https://ossimg.kuujia.com/scimg/63000/62921-54-4x500.png)
62921-54-4 structure
Product Name:3,6,9,12-Tetraoxa-16-azabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione, 15,17-dimethyl-
CAS No:62921-54-4
MF:C15H19NO6
MW:309.31446480751
CID:428726
PubChem ID:12317503
Update Time:2025-04-19
3,6,9,12-Tetraoxa-16-azabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione, 15,17-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3,6,9,12-Tetraoxa-16-azabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione, 15,17-dimethyl-
- 15,17-dimethyl-3,6,9,12-tetraoxa-16-azabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
- DTXSID20487899
- 62921-54-4
-
- Inchi： 1S/C15H19NO6/c1-10-12-9-13(11(2)16-10)15(18)22-8-6-20-4-3-19-5-7-21-14(12)17/h9H,3-8H2,1-2H3
- InChI Key： KETPXKVPZWJRHR-UHFFFAOYSA-N
- SMILES： O1CCOC(C2=CC(C(=O)OCCOCC1)=C(C)N=C2C)=O
Computed Properties
- Exact Mass: 309.12127
- Monoisotopic Mass: 309.12123733g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 354
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 84?2
Experimental Properties
- PSA: 83.95
3,6,9,12-Tetraoxa-16-azabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione, 15,17-dimethyl- Related Literature
-
Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
62921-54-4 (3,6,9,12-Tetraoxa-16-azabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione, 15,17-dimethyl-) Related Products
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