Cas no 138829-50-2 (Rebeccamycin; Bis(dechloro), 2,10-difluoro)
138829-50-2 structure
Product Name:Rebeccamycin; Bis(dechloro), 2,10-difluoro
CAS No:138829-50-2
MF:C27H21F2N3O7
MW:537.46835398674
CID:6724135
Update Time:2024-03-03
Rebeccamycin; Bis(dechloro), 2,10-difluoro Chemical and Physical Properties
Names and Identifiers
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- Rebeccamycin; Bis(dechloro), 2,10-difluoro
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- Inchi： 1S/C27H21F2N3O7/c1-38-24-15(8-33)39-27(23(35)22(24)34)32-14-7-10(29)3-5-12(14)17-19-18(25(36)31-26(19)37)16-11-4-2-9(28)6-13(11)30-20(16)21(17)32/h2-7,15,22-24,27,30,33-35H,8H2,1H3,(H,31,36,37)
- InChI Key： HASPDWQMLDEIPM-UHFFFAOYSA-N
- SMILES： COC1C(O)C(O)C(N2C3C(=C4C(=C5C=3NC3C5=CC=C(C=3)F)C(=O)NC4=O)C3C2=CC(=CC=3)F)OC1CO
Computed Properties
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 39
- XLogP3: -0.23
Rebeccamycin; Bis(dechloro), 2,10-difluoro Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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