Cas no 4206-89-7 (Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-6-(1-aziridinyl)-1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-1,5-dimethyl-, [1aS-(1aα,8β,8aα,8bα)]- (9CI))
![Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-6-(1-aziridinyl)-1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-1,5-dimethyl-, [1aS-(1aα,8β,8aα,8bα)]- (9CI) structure](https://ossimg.kuujia.com/scimg/4500/4206-89-7x500.png)
4206-89-7 structure
Product Name:Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-6-(1-aziridinyl)-1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-1,5-dimethyl-, [1aS-(1aα,8β,8aα,8bα)]- (9CI)
CAS No:4206-89-7
MF:C17H20N4O5
MW:360.364503860474
CID:2714391
PubChem ID:199453
Update Time:2024-03-01
Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-6-(1-aziridinyl)-1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-1,5-dimethyl-, [1aS-(1aα,8β,8aα,8bα)]- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-6-(1-aziridinyl)-1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-1,5-dimethyl-, [1aS-(1aα,8β,8aα,8bα)]- (9CI)
-
- Inchi： 1S/C17H20N4O5/c1-7-11(20-3-4-20)14(23)10-8(6-26-16(18)24)17(25)15-9(19(15)2)5-21(17)12(10)13(7)22/h8-9,15,25H,3-6H2,1-2H3,(H2,18,24)
- InChI Key： RPCXKWKNOYTMEO-UHFFFAOYSA-N
- SMILES： CC1C(=O)C2N3C(O)(C(C=2C(=O)C=1N1CC1)COC(N)=O)C1N(C1C3)C
Computed Properties
- Exact Mass: 360.14336975g/mol
- Monoisotopic Mass: 360.14336975g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 26
- Rotatable Bond Count: 4
- Complexity: 844
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.3
- Topological Polar Surface Area: 116?2
Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-6-(1-aziridinyl)-1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-1,5-dimethyl-, [1aS-(1aα,8β,8aα,8bα)]- (9CI) Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Indoles and derivatives Indolequinones Mitomycins, mitosane and mitosene derivatives
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Indoles and derivatives Mitomycins, mitosane and mitosene derivatives
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