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13292-45-0 | Rifamycin, 3-[(1-piperazinylimino)methyl]-
CAS No: 13292-45-0 Catalog No: AG0011E8 MDL No:
Product Description
Catalog Number:
AG0011E8
Chemical Name:
Rifamycin, 3-[(1-piperazinylimino)methyl]-
CAS Number:
13292-45-0
IUPAC Name:
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21E)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-26-[(E)-piperazin-1-yliminomethyl]-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/C42H56N4O12/c1-20-11-10-12-21(2)41(54)45-32-27(19-44-46-16-14-43-15-17-46)36(51)29-30(37(32)52)35(50)25(6)39-31(29)40(53)42(8,58-39)56-18-13-28(55-9)22(3)38(57-26(7)47)24(5)34(49)23(4)33(20)48/h10-13,18-20,22-24,28,33-34,38,43,48-52H,14-17H2,1-9H3,(H,45,54)/b11-10+,18-13+,21-12+,44-19+/t20-,22+,23+,24+,28-,33-,34+,38+,42-/m0/s1
InChI Key:
FKKVFHDDYXJFFL-MOSFFKILSA-N
Properties
Complexity:
1580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
4
Exact Mass:
808.389g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
808.926g/mol
Monoisotopic Mass:
808.389g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
229A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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