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18361-46-1 | Leucomycin V, 3-acetate 4B-butanoate
CAS No: 18361-46-1 Catalog No: AG0027RB MDL No:
Product Description
Catalog Number:
AG0027RB
Chemical Name:
Leucomycin V, 3-acetate 4B-butanoate
CAS Number:
18361-46-1
IUPAC Name:
[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] butanoate
InChI:
InChI=1S/C41H67NO15/c1-11-15-31(46)55-39-26(5)52-33(22-41(39,7)49)56-36-25(4)53-40(35(48)34(36)42(8)9)57-37-28(18-19-43)20-23(2)29(45)17-14-12-13-16-24(3)51-32(47)21-30(38(37)50-10)54-27(6)44/h12-14,17,19,23-26,28-30,33-40,45,48-49H,11,15-16,18,20-22H2,1-10H3/b13-12+,17-14+/t23-,24-,25-,26+,28+,29+,30-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1
InChI Key:
XVTMRUKLMXPAKO-RXUUKHTDSA-N
UNII:
BP88W7ZP3A
Properties
Complexity:
1360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
16
Defined Bond Stereocenter Count:
2
Exact Mass:
813.451g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
813.979g/mol
Monoisotopic Mass:
813.451g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
206A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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