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164066-23-3 | Monensin, decyl ester
CAS No: 164066-23-3 Catalog No: AG001UM8 MDL No:
Product Description
Catalog Number:
AG001UM8
Chemical Name:
Monensin, decyl ester
CAS Number:
164066-23-3
IUPAC Name:
decyl (2S,3R,4S)-4-[(2S,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoate
InChI:
InChI=1S/C46H82O11/c1-11-13-14-15-16-17-18-19-24-52-42(49)34(8)39(51-10)33(7)40-32(6)35(48)27-45(55-40)23-22-43(9,57-45)37-20-21-44(12-2,54-37)41-30(4)26-36(53-41)38-29(3)25-31(5)46(50,28-47)56-38/h29-41,47-48,50H,11-28H2,1-10H3/t29-,30-,31+,32+,33-,34-,35-,36+,37+,38-,39+,40-,41+,43-,44-,45?,46-/m0/s1
InChI Key:
JNPTWXLIOHMQFI-YXGKGMKQSA-N
Properties
Complexity:
1270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
16
Defined Bond Stereocenter Count:
0
Exact Mass:
810.586g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
811.151g/mol
Monoisotopic Mass:
810.586g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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