Cas no 37934-52-4 (Melinacidin IV)
Melinacidin IV structure
Product Name:Melinacidin IV
CAS No:37934-52-4
MF:C30H28N6O8S4
MW:728.83872127533
CID:2010700
PubChem ID:216967
Update Time:2025-04-21
Melinacidin IV Chemical and Physical Properties
Names and Identifiers
-
- Melinacidin IV
- 37934-52-4
- (6S,6'S)-6,6'-Dihydroxychaetocin
- Chaetocin, 6,6'-dihydroxy-, (6S,6'S)-
- 11,11'-Dihydroxychaetocin
- Chetocin, 11,11'-dihydroxy-
- SCHEMBL19275171
- 11,11'-Dihydroxychetocin
-
- Inchi： 1S/C30H28N6O8S4/c1-33-23(43)29-17(39)27(13-7-3-5-9-15(13)31-19(27)35(29)21(41)25(33,11-37)45-47-29)28-14-8-4-6-10-16(14)32-20(28)36-22(42)26(12-38)34(2)24(44)30(36,18(28)40)48-46-26/h3-10,17-20,31-32,37-40H,11-12H2,1-2H3
- InChI Key： VGJIEAUSEFTEPX-UHFFFAOYSA-N
- SMILES： S1C23C(N(C)C(CO)(C(N2C2C(C4C=CC=CC=4N2)(C3O)C23C4C=CC=CC=4NC2N2C(C4(CO)N(C)C(C2(C3O)SS4)=O)=O)=O)S1)=O
Computed Properties
- Exact Mass: 728.08514657g/mol
- Monoisotopic Mass: 728.08514657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 48
- Rotatable Bond Count: 3
- Complexity: 1470
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 10
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0
- Topological Polar Surface Area: 287?2
Melinacidin IV Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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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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