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Rifandin

CAS No.:
89499-17-2
Catalog Number:
AG00GX55
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00GX55
Chemical Name:
Rifandin
CAS Number:
89499-17-2
IUPAC Name:
[(9E,19E,21E)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(E)-[4-(2-methylpropyl)piperazin-1-yl]iminomethyl]-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/C46H64N4O12/c1-23(2)22-49-16-18-50(19-17-49)47-21-31-36-41(56)34-33(40(31)55)35-43(29(8)39(34)54)62-46(10,44(35)57)60-20-15-32(59-11)26(5)42(61-30(9)51)28(7)38(53)27(6)37(52)24(3)13-12-14-25(4)45(58)48-36/h12-15,20-21,23-24,26-28,32,37-38,42,52-56H,16-19,22H2,1-11H3,(H,48,58)/b13-12+,20-15+,25-14+,47-21+
InChI Key:
LUSSUGVLLJCTQA-PGNJPLJPSA-N
Properties
Complexity:
1680  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4  
Exact Mass:
864.452g/mol
Formal Charge:
0
Heavy Atom Count:
62  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
865.034g/mol
Monoisotopic Mass:
864.452g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
220A^2
Undefined Atom Stereocenter Count:
9  
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2  
Properties