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128563-23-5 | Azacyclotetradecan-2-one, 10-[(3-amino-3,6-dideoxy-α-L-talopyranosyl)oxy]-3,11-diethyl-7-methyl-, (3R,7S,10R,11R)-
CAS No: 128563-23-5 Catalog No: AG000Y6O MDL No:
Product Description
Catalog Number:
AG000Y6O
Chemical Name:
Azacyclotetradecan-2-one, 10-[(3-amino-3,6-dideoxy-α-L-talopyranosyl)oxy]-3,11-diethyl-7-methyl-, (3R,7S,10R,11R)-
CAS Number:
128563-23-5
Molecular Formula:
C24H46N2O5
Molecular Weight:
442.6324
IUPAC Name:
(3R,7S,10R,11R)-10-[(2R,3R,4R,5S,6S)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3,11-diethyl-7-methyl-azacyclotetradecan-2-one
InChI:
InChI=1S/C24H46N2O5/c1-5-17-11-8-14-26-23(29)18(6-2)10-7-9-15(3)12-13-19(17)31-24-22(28)20(25)21(27)16(4)30-24/h15-22,24,27-28H,5-14,25H2,1-4H3,(H,26,29)/t15-,16-,17+,18+,19+,20+,21+,22+,24-/m0/s1
InChI Key:
MJDWUOZLTDXLJL-PEFIXUBVSA-N
SMILES:
CC[C@@H]1CCCNC(=O)[C@H](CC)CCC[C@@H](CC[C@H]1O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@H]1O)N)O)C
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
442.341g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
442.641g/mol
Monoisotopic Mass:
442.341g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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