Cas no 858648-33-6 (Birnbaumin B)
Birnbaumin B structure
Product Name:Birnbaumin B
CAS No:858648-33-6
MF:C16H20N6O5
MW:376.367202758789
CID:6643860
PubChem ID:135506167
Update Time:2024-03-02
Birnbaumin B Chemical and Physical Properties
Names and Identifiers
-
- DTXSID001046011
- Birnbaumin B
- 858648-33-6
- N-[4-[[(2Z)-1,2-diamino-2-hydroxyiminoethylidene]amino]butyl]-2-(1,7-dihydroxyindol-3-yl)-2-oxoacetamide
- CHEBI:223797
- Birnbaumin A
-
- Inchi： 1S/C16H20N6O5/c17-14(15(18)21-26)19-6-1-2-7-20-16(25)13(24)10-8-22(27)12-9(10)4-3-5-11(12)23/h3-5,8,23,26-27H,1-2,6-7H2,(H2,17,19)(H2,18,21)(H,20,25)
- InChI Key： VBIBHYIVQAMFPY-UHFFFAOYSA-N
- SMILES： ON1C=C(C(C(NCCCC/N=C(/C(=N/O)/N)\N)=O)=O)C2C=CC=C(C1=2)O
Computed Properties
- Exact Mass: 376.14951776g/mol
- Monoisotopic Mass: 376.14951776g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 27
- Rotatable Bond Count: 8
- Complexity: 610
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 189?2
Birnbaumin B Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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