Cas no 1206782-60-6 (fumonisin B6)
fumonisin B6 structure
Product Name:fumonisin B6
CAS No:1206782-60-6
MF:C34H59NO15
MW:721.829972505569
CID:2071792
PubChem ID:122391318
Update Time:2025-04-21
fumonisin B6 Chemical and Physical Properties
Names and Identifiers
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- fumonisin B6
- DTXSID301017958
- CHEBI:134060
- 1206782-60-6
- (2R,2'R)-2,2'-{[(5R,6R,7S,9S,18R,19S)-19-amino-16,17,18-trihydroxy-5,9-dimethylicosane-6,7-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}dibutanedioic acid
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- Inchi： 1S/C34H59NO15/c1-5-6-12-20(3)32(50-29(42)18-23(34(47)48)16-27(39)40)25(49-28(41)17-22(33(45)46)15-26(37)38)14-19(2)11-9-7-8-10-13-24(36)31(44)30(43)21(4)35/h19-25,30-32,36,43-44H,5-18,35H2,1-4H3,(H,37,38)(H,39,40)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24?,25-,30+,31?,32+/m0/s1
- InChI Key： WQXBMSIHHKRGPX-TWFRCCRHSA-N
- SMILES： O(C(C[C@H](C(=O)O)CC(=O)O)=O)[C@@H](C[C@@H](C)CCCCCCC(C([C@@H]([C@H](C)N)O)O)O)[C@@H]([C@H](C)CCCC)OC(C[C@H](C(=O)O)CC(=O)O)=O
Computed Properties
- Exact Mass: 721.38847018g/mol
- Monoisotopic Mass: 721.38847018g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 50
- Rotatable Bond Count: 31
- Complexity: 1070
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 289?2
fumonisin B6 Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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