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78768-62-4 | benzothiazole-rifamycin
CAS No: 78768-62-4 Catalog No: AG00GCF8 MDL No:
Product Description
Catalog Number:
AG00GCF8
Chemical Name:
benzothiazole-rifamycin
CAS Number:
78768-62-4
IUPAC Name:
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(E)-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
InChI:
InChI=1S/C46H54N4O12S/c1-21-14-13-15-22(2)44(58)48-35-28(20-47-49-45-50(9)29-16-11-12-17-31(29)63-45)39(55)32-33(40(35)56)38(54)26(6)42-34(32)43(57)46(8,62-42)60-19-18-30(59-10)23(3)41(61-27(7)51)25(5)37(53)24(4)36(21)52/h11-21,23-25,30,36-37,41,52-56H,1-10H3,(H,48,58)/b14-13+,19-18+,22-15-,47-20+,49-45-/t21-,23+,24+,25+,30-,36-,37+,41+,46-/m0/s1
InChI Key:
RCBBVQBGDQKRKF-DAQAECEESA-N
Properties
Complexity:
1830
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
5
Exact Mass:
886.346g/mol
Formal Charge:
0
Heavy Atom Count:
63
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
887.014g/mol
Monoisotopic Mass:
886.346g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
255A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
Literature
| Title | Journal |
|---|---|
| Biochemical study of R-75-1, a new semi-synthetic rifamycin. | The Journal of antibiotics 19810601 |
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